2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide

C64H108N20O8 — CID 158580928

IUPAC2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
SMILES[2H]C1(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC(C)C([2H])(O)C1.[2H]C1(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC([2H])(C)C([2H])(O)C1.[2H]C1([2H])C(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC(C)C1O.[2H]C1C(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC(C)C1O
InChIInChI=1S/4C16H27N5O2/c4*1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h4*8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/i9D,10D,12D;10D,12D;7D2;7D
InChIKeyHTFZNVVMKLNMCG-BPXHOEOCSA-N
MW1293.75 g/mol
LogP6.99
Rot. Bonds16

About 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide

2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 158580928) has the molecular formula C64H108N20O8 and a molecular weight of 1293.75 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID158580928
Molecular FormulaC64H108N20O8
Molecular Weight1293.75 g/mol
Exact Mass1292.92
IUPAC Name2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
SMILES[2H]C1(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC(C)C([2H])(O)C1.[2H]C1(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC([2H])(C)C([2H])(O)C1.[2H]C1([2H])C(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC(C)C1O.[2H]C1C(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC(C)C1O
InChIInChI=1S/4C16H27N5O2/c4*1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h4*8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/i9D,10D,12D;10D,12D;7D2;7D
InChIKeyHTFZNVVMKLNMCG-BPXHOEOCSA-N
XLogP6.99
TPSA452.64 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001293.75
LogP ≤ 56.99
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-(tert-butylamino)-4-[(1-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(3-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(4-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 158971971
2-(tert-butylamino)-4-[[1,3,3,4,5-pentadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
CID 140838113
2-(tert-butylamino)-4-[[4-deuterio-3-hydroxy-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,2,2,3,5,6,6-heptadeuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,2,2,3,6,6-hexadeuterio-5-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,2,2,6,6-pentadeuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 158580945
2-(tert-butylamino)-4-[(3,3-dideuterio-5-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 140838077
2-(tert-butylamino)-4-deuterio-6-(3,4-dideuterio-3-hydroxy-4-methylcyclohexyl)imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-(3,4-dideuterio-3-hydroxy-4-methylcyclohexyl)imino-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,3-dideuterio-3-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1H-pyrimidine-5-carboxamide;4-[[1,3-dideuterio-3-hydroxy-4-(trideuteriomethyl)cyclohexyl]amino]-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]pyrimidine-5-carboxamide
CID 158580950
2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 158793535
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 71237447
2-(tert-butylamino)-4-[[(3R,4R)-3-hydroxy-3,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 134192870
2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 71242409
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(3,3,3-trifluoroprop-1-en-2-ylamino)pyrimidine-5-carboxamide
CID 130206512
2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 161314690
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide (CID 158580928) is 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide is [2H]C1(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC(C)C([2H])(O)C1.[2H]C1(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC([2H])(C)C([2H])(O)C1.[2H]C1([2H])C(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC(C)C1O.[2H]C1C(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CCC(C)C1O.
What is the InChIKey of 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is HTFZNVVMKLNMCG-BPXHOEOCSA-N. The full InChI is InChI=1S/4C16H27N5O2/c4*1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h4*8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/i9D,10D,12D;10D,12D;7D2;7D.
What are the key properties of 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide?
2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 1293.75 g/mol, XLogP of 6.99, 16 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-[(2-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(2,2-dideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(1,3,4-trideuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 158580928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).