2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide

C15H22N4O2 — CID 149008951

IUPAC2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CC2)nc1C[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C15H22N4O2/c16-14(21)12-8-17-15(18-10-4-5-10)19-13(12)7-9-2-1-3-11(20)6-9/h8-11,20H,1-7H2,(H2,16,21)(H,17,18,19)/t9-,11+/m1/s1
InChIKeyQBDOKPGXEHHZNG-KOLCDFICSA-N
MW290.37 g/mol
LogP1.24
Rot. Bonds5

About 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide

2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide (PubChem CID 149008951) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
PubChem CID149008951
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CC2)nc1C[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C15H22N4O2/c16-14(21)12-8-17-15(18-10-4-5-10)19-13(12)7-9-2-1-3-11(20)6-9/h8-11,20H,1-7H2,(H2,16,21)(H,17,18,19)/t9-,11+/m1/s1
InChIKeyQBDOKPGXEHHZNG-KOLCDFICSA-N
XLogP1.24
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 162160086
4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 158844038
4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 148807012
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
2-[(4-ethoxycyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycycloheptyl]methyl]pyrimidine-5-carbonitrile
CID 158325105
2-[[4-(difluoromethoxy)cyclohexyl]amino]-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 78044372
4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 130441517
4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 161285594
2-[[4-(dimethylcarbamoyl)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66575841
cis-(1S,3S)-3-[[5-ethynyl-2-[(4-methoxycyclohexyl)amino]pyrimidin-4-yl]methyl]cycloheptan-1-ol
CID 160677323
cis-(1S,3S)-3-[[2-[(4-ethoxycyclohexyl)amino]-5-ethynylpyrimidin-4-yl]methyl]cycloheptan-1-ol
CID 157154524
1-[4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-2-methylpyrimidin-5-yl]ethanone
CID 71242445

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide (CID 149008951) is 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CC2)nc1C[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is QBDOKPGXEHHZNG-KOLCDFICSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-14(21)12-8-17-15(18-10-4-5-10)19-13(12)7-9-2-1-3-11(20)6-9/h8-11,20H,1-7H2,(H2,16,21)(H,17,18,19)/t9-,11+/m1/s1.
What are the key properties of 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide?
2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 149008951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).