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

C19H27N5O2 — CID 71238025

IUPAC4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(OC3CC3)CC2)nc1NC12CC(C1)C2
InChIInChI=1S/C19H27N5O2/c20-16(25)15-10-21-18(23-17(15)24-19-7-11(8-19)9-19)22-12-1-3-13(4-2-12)26-14-5-6-14/h10-14H,1-9H2,(H2,20,25)(H2,21,22,23,24)
InChIKeyNCVRPXCDZWIPMC-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.44
Rot. Bonds7

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

4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 71238025) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID71238025
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(OC3CC3)CC2)nc1NC12CC(C1)C2
InChIInChI=1S/C19H27N5O2/c20-16(25)15-10-21-18(23-17(15)24-19-7-11(8-19)9-19)22-12-1-3-13(4-2-12)26-14-5-6-14/h10-14H,1-9H2,(H2,20,25)(H2,21,22,23,24)
InChIKeyNCVRPXCDZWIPMC-UHFFFAOYSA-N
XLogP2.44
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
2-[(4-ethoxycyclohexyl)amino]-4-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]pyrimidine-5-carboxamide
CID 71237568
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
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide
CID 71237664
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
4-[[(1R)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237118
4-[[(1R,3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide;4-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 162254042
2-[(4-methoxycyclohexyl)amino]-4-[[(2S)-3-methylbutan-2-yl]amino]pyrimidine-5-carboxamide
CID 71237470
4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71236629
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054

Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 71238025) is 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCC(OC3CC3)CC2)nc1NC12CC(C1)C2.
What is the InChIKey of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is NCVRPXCDZWIPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c20-16(25)15-10-21-18(23-17(15)24-19-7-11(8-19)9-19)22-12-1-3-13(4-2-12)26-14-5-6-14/h10-14H,1-9H2,(H2,20,25)(H2,21,22,23,24).
What are the key properties of 4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 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-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71238025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).