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

C17H25N5O2 — CID 71237664

IUPAC2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC23CC(C2)C3)nc1N[C@@H]1CCCC[C@H](O)C1
InChIInChI=1S/C17H25N5O2/c18-14(24)13-9-19-16(22-17-6-10(7-17)8-17)21-15(13)20-11-3-1-2-4-12(23)5-11/h9-12,23H,1-8H2,(H2,18,24)(H2,19,20,21,22)/t10?,11-,12+,17?/m1/s1
InChIKeyJEOCHOAITQOYFB-SVUPHLTFSA-N
MW331.42 g/mol
LogP1.65
Rot. Bonds5

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

2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide (PubChem CID 71237664) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide
PubChem CID71237664
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC23CC(C2)C3)nc1N[C@@H]1CCCC[C@H](O)C1
InChIInChI=1S/C17H25N5O2/c18-14(24)13-9-19-16(22-17-6-10(7-17)8-17)21-15(13)20-11-3-1-2-4-12(23)5-11/h9-12,23H,1-8H2,(H2,18,24)(H2,19,20,21,22)/t10?,11-,12+,17?/m1/s1
InChIKeyJEOCHOAITQOYFB-SVUPHLTFSA-N
XLogP1.65
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 71237803
4-[(3-hydroxycyclohexyl)amino]-2-[(4-methyloxan-4-yl)amino]pyrimidine-5-carboxamide
CID 78044446
4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
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
4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71238025
2-[[4-(dimethylcarbamoyl)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66575841
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1-methylcyclopentyl)amino]pyrimidine-5-carboxamide
CID 71237293
4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide
CID 71237462
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyrimidine-5-carboxamide
CID 118375405
2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 123245830

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide (CID 71237664) is 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC23CC(C2)C3)nc1N[C@@H]1CCCC[C@H](O)C1.
What is the InChIKey of 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide?
The InChIKey is JEOCHOAITQOYFB-SVUPHLTFSA-N. The full InChI is InChI=1S/C17H25N5O2/c18-14(24)13-9-19-16(22-17-6-10(7-17)8-17)21-15(13)20-11-3-1-2-4-12(23)5-11/h9-12,23H,1-8H2,(H2,18,24)(H2,19,20,21,22)/t10?,11-,12+,17?/m1/s1.
What are the key properties of 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide?
2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).