4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

C18H28N4O2 — CID 148807012

IUPAC4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESC[C@H](Cc1nc(NC2CCC(O)CC2)ncc1C(N)=O)C1CCC1
InChIInChI=1S/C18H28N4O2/c1-11(12-3-2-4-12)9-16-15(17(19)24)10-20-18(22-16)21-13-5-7-14(23)8-6-13/h10-14,23H,2-9H2,1H3,(H2,19,24)(H,20,21,22)/t11-,13?,14?/m1/s1
InChIKeyOPDVZRSZFSLMGA-LMWSTFAQSA-N
MW332.45 g/mol
LogP2.27
Rot. Bonds6

About 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 148807012) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID148807012
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESC[C@H](Cc1nc(NC2CCC(O)CC2)ncc1C(N)=O)C1CCC1
InChIInChI=1S/C18H28N4O2/c1-11(12-3-2-4-12)9-16-15(17(19)24)10-20-18(22-16)21-13-5-7-14(23)8-6-13/h10-14,23H,2-9H2,1H3,(H2,19,24)(H,20,21,22)/t11-,13?,14?/m1/s1
InChIKeyOPDVZRSZFSLMGA-LMWSTFAQSA-N
XLogP2.27
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 161285594
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 149008951
2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 162160086
2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide
CID 161486885
2-[(4-hydroxycyclohexyl)amino]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 71237270
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
2-(cyclobutylamino)-N-[(1R,4S)-4-hydroxycyclooctyl]-4-propan-2-yloxypyrimidine-5-carboxamide;methane
CID 173131933
4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 158844038
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
CID 71238055
4-[[(1R)-1-cyclobutylethyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237417

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 148807012) is 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is C[C@H](Cc1nc(NC2CCC(O)CC2)ncc1C(N)=O)C1CCC1.
What is the InChIKey of 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is OPDVZRSZFSLMGA-LMWSTFAQSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-11(12-3-2-4-12)9-16-15(17(19)24)10-20-18(22-16)21-13-5-7-14(23)8-6-13/h10-14,23H,2-9H2,1H3,(H2,19,24)(H,20,21,22)/t11-,13?,14?/m1/s1.
What are the key properties of 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 148807012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).