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

C16H23N5O2 — CID 70982438

IUPAC4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(O)CC2)nc1NC12CC(C1)C2
InChIInChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-1-3-11(22)4-2-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21)
InChIKeyIRUBRQUHIORGIW-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.26
Rot. Bonds5

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

4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 70982438) 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-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID70982438
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(O)CC2)nc1NC12CC(C1)C2
InChIInChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-1-3-11(22)4-2-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21)
InChIKeyIRUBRQUHIORGIW-UHFFFAOYSA-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

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Related Compounds

4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71238025
2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide
CID 71237664
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
2-[(4-hydroxycyclohexyl)amino]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 71237270
2-[(4-ethoxycyclohexyl)amino]-4-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]pyrimidine-5-carboxamide
CID 71237568
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
CID 71238055
4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide
CID 170316255
2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide
CID 71237764
3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
CID 11856528
3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
CID 11856529

Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 70982438) is 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCC(O)CC2)nc1NC12CC(C1)C2.
What is the InChIKey of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is IRUBRQUHIORGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-1-3-11(22)4-2-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21).
What are the key properties of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-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-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 70982438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).