2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide

C19H29N5O3 — CID 71237803

IUPAC2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC23CCC(O)(CC2)CC3)nc1N[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C19H29N5O3/c20-15(26)14-11-21-17(23-16(14)22-12-2-1-3-13(25)10-12)24-18-4-7-19(27,8-5-18)9-6-18/h11-13,25,27H,1-10H2,(H2,20,26)(H2,21,22,23,24)/t12-,13+,18?,19?/m1/s1
InChIKeyUXLPPQIZHLYMBO-UIBBSWIJSA-N
MW375.47 g/mol
LogP1.54
Rot. Bonds5

About 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide

2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 71237803) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID71237803
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC23CCC(O)(CC2)CC3)nc1N[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C19H29N5O3/c20-15(26)14-11-21-17(23-16(14)22-12-2-1-3-13(25)10-12)24-18-4-7-19(27,8-5-18)9-6-18/h11-13,25,27H,1-10H2,(H2,20,26)(H2,21,22,23,24)/t12-,13+,18?,19?/m1/s1
InChIKeyUXLPPQIZHLYMBO-UIBBSWIJSA-N
XLogP1.54
TPSA133.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide
CID 71237664
4-[(3-hydroxycyclohexyl)amino]-2-[(4-methyloxan-4-yl)amino]pyrimidine-5-carboxamide
CID 78044446
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
2-[[4-(difluoromethoxy)cyclohexyl]amino]-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 78044372
2-[[4-(dimethylcarbamoyl)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66575841
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyrimidine-5-carboxamide
CID 118375405
4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 130441517
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 142718123
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1-methylcyclopentyl)amino]pyrimidine-5-carboxamide
CID 71237293
tert-butyl N-[4-[[5-carbamoyl-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidin-2-yl]amino]cyclohexyl]-N-methylcarbamate
CID 118373031
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-(5,6,7,8-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 71237646
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (CID 71237803) is 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC23CCC(O)(CC2)CC3)nc1N[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is UXLPPQIZHLYMBO-UIBBSWIJSA-N. The full InChI is InChI=1S/C19H29N5O3/c20-15(26)14-11-21-17(23-16(14)22-12-2-1-3-13(25)10-12)24-18-4-7-19(27,8-5-18)9-6-18/h11-13,25,27H,1-10H2,(H2,20,26)(H2,21,22,23,24)/t12-,13+,18?,19?/m1/s1.
What are the key properties of 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.54, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).