2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide

C17H22N6O — CID 66576399

IUPAC2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(N)CC2)nc1Nc1ccccc1
InChIInChI=1S/C17H22N6O/c18-11-6-8-13(9-7-11)22-17-20-10-14(15(19)24)16(23-17)21-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9,18H2,(H2,19,24)(H2,20,21,22,23)
InChIKeyQAMQIOYTZOPFIM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.00
Rot. Bonds5

About 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide

2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide (PubChem CID 66576399) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide
PubChem CID66576399
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(N)CC2)nc1Nc1ccccc1
InChIInChI=1S/C17H22N6O/c18-11-6-8-13(9-7-11)22-17-20-10-14(15(19)24)16(23-17)21-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9,18H2,(H2,19,24)(H2,20,21,22,23)
InChIKeyQAMQIOYTZOPFIM-UHFFFAOYSA-N
XLogP2.00
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide (CID 66576399) is 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCC(N)CC2)nc1Nc1ccccc1.
What is the InChIKey of 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide?
The InChIKey is QAMQIOYTZOPFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c18-11-6-8-13(9-7-11)22-17-20-10-14(15(19)24)16(23-17)21-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9,18H2,(H2,19,24)(H2,20,21,22,23).
What are the key properties of 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide?
2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide is sourced from PubChem (CID 66576399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).