4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide

C16H23N5O2 — CID 71237291

IUPAC4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2
InChIInChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-2-1-3-11(22)4-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21)/t9?,10-,11+,16?/m1/s1
InChIKeyAWCZONGEZBLWJC-OUBLUOKUSA-N
MW317.39 g/mol
LogP1.26
Rot. Bonds5

About 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide

4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 71237291) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID71237291
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2
InChIInChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-2-1-3-11(22)4-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21)/t9?,10-,11+,16?/m1/s1
InChIKeyAWCZONGEZBLWJC-OUBLUOKUSA-N
XLogP1.26
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

Cc-90001
CID 71237511
4-[[(1R,3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66575844
4-[[(1R,3S)-3-hydroxycycloheptyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237369
4-((1R,3S)-3-hydroxycyclohexylamino)-2-(4-(2,2,2-trifluoroethoxy)cyclohexyl-amino)pyrimidine-5-carboxamide
CID 66575842
4-[(3-Hydroxy-3-methylbutyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66575924
2-(4,4-difluorocyclohexylamino)-4-((1R,3S)-3-hydroxycyclohexylamino)pyrimidine-5-carboxamide
CID 66575928
4-[[(1R,3S)-3-methoxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576005
4-(Tert-butylamino)-2-((trans-4-hydroxycyclohexyl)amino)pyrimidine-5-carboxamide
CID 70982421
4-(1-Bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
4-[[(1R,3R)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237065
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237171
4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)-2-(1-methylcyclopropylamino)pyrimidine-5-carboxamide
CID 71237388

Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (CID 71237291) is 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2.
What is the InChIKey of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is AWCZONGEZBLWJC-OUBLUOKUSA-N. The full InChI is InChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-2-1-3-11(22)4-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21)/t9?,10-,11+,16?/m1/s1.
What are the key properties of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).