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

C11H16N4O2 — CID 142718123

IUPAC4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1N[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C11H16N4O2/c12-10(17)9-5-13-6-14-11(9)15-7-2-1-3-8(16)4-7/h5-8,16H,1-4H2,(H2,12,17)(H,13,14,15)/t7-,8+/m1/s1
InChIKeyUGMPRJNDRUQPPU-SFYZADRCSA-N
MW236.27 g/mol
LogP0.29
Rot. Bonds3

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

4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 142718123) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID142718123
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cncnc1N[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C11H16N4O2/c12-10(17)9-5-13-6-14-11(9)15-7-2-1-3-8(16)4-7/h5-8,16H,1-4H2,(H2,12,17)(H,13,14,15)/t7-,8+/m1/s1
InChIKeyUGMPRJNDRUQPPU-SFYZADRCSA-N
XLogP0.29
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbothioamide
CID 112755498
4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 130441517
2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 71237803
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
4-[(3-hydroxycyclohexyl)amino]-2-[(4-methyloxan-4-yl)amino]pyrimidine-5-carboxamide
CID 78044446
2-[[4-(difluoromethoxy)cyclohexyl]amino]-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 78044372
2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide
CID 71237664
2-[[4-(dimethylcarbamoyl)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66575841
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-(5,6,7,8-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 71237646
6-[(2-hydroxycyclobutyl)amino]-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 167147038
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyrimidine-5-carboxamide
CID 118375405
methyl 4-[(3-hydroxycyclohexyl)methylamino]pyrimidine-5-carboxylate
CID 114214881

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (CID 142718123) is 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is NC(=O)c1cncnc1N[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is UGMPRJNDRUQPPU-SFYZADRCSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-10(17)9-5-13-6-14-11(9)15-7-2-1-3-8(16)4-7/h5-8,16H,1-4H2,(H2,12,17)(H,13,14,15)/t7-,8+/m1/s1.
What are the key properties of 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 142718123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).