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

C20H32N4O3 — CID 148756561

IUPAC4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide
SMILESCO[C@H]1CCC[C@H](Cc2ncc(C(N)=O)c(N[C@@H]3CCC[C@H](O)C3)n2)CC1
InChIInChI=1S/C20H32N4O3/c1-27-16-7-2-4-13(8-9-16)10-18-22-12-17(19(21)26)20(24-18)23-14-5-3-6-15(25)11-14/h12-16,25H,2-11H2,1H3,(H2,21,26)(H,22,23,24)/t13-,14+,15-,16-/m0/s1
InChIKeyOFSMAECUMDOMHE-FZKCQIBNSA-N
MW376.50 g/mol
LogP2.43
Rot. Bonds6

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

4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide (PubChem CID 148756561) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide
PubChem CID148756561
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide
SMILESCO[C@H]1CCC[C@H](Cc2ncc(C(N)=O)c(N[C@@H]3CCC[C@H](O)C3)n2)CC1
InChIInChI=1S/C20H32N4O3/c1-27-16-7-2-4-13(8-9-16)10-18-22-12-17(19(21)26)20(24-18)23-14-5-3-6-15(25)11-14/h12-16,25H,2-11H2,1H3,(H2,21,26)(H,22,23,24)/t13-,14+,15-,16-/m0/s1
InChIKeyOFSMAECUMDOMHE-FZKCQIBNSA-N
XLogP2.43
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]methyl]pyrimidine-5-carboxamide
CID 160932588
4-[(3-hydroxycyclopentyl)amino]-2-[[4-(methoxymethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
CID 78044523
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054
2-[[4-(difluoromethoxy)cyclohexyl]amino]-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 78044372
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 71237803
2-[[4-(dimethylcarbamoyl)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66575841
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 142718123
tert-butyl N-[4-[[5-carbamoyl-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidin-2-yl]amino]cyclohexyl]-N-methylcarbamate
CID 118373031
4-[(3-hydroxycyclohexyl)amino]-2-[(4-methyloxan-4-yl)amino]pyrimidine-5-carboxamide
CID 78044446

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide (CID 148756561) is 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide is CO[C@H]1CCC[C@H](Cc2ncc(C(N)=O)c(N[C@@H]3CCC[C@H](O)C3)n2)CC1.
What is the InChIKey of 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is OFSMAECUMDOMHE-FZKCQIBNSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-27-16-7-2-4-13(8-9-16)10-18-22-12-17(19(21)26)20(24-18)23-14-5-3-6-15(25)11-14/h12-16,25H,2-11H2,1H3,(H2,21,26)(H,22,23,24)/t13-,14+,15-,16-/m0/s1.
What are the key properties of 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide?
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 148756561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).