N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide

C19H23N5O2 — CID 109298724

IUPACN-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13(25)21-15-7-9-16(10-8-15)22-18(26)17-11-12-20-19(24-17)23-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyQFJASGDZCMEJDY-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.43
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide

N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide (PubChem CID 109298724) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
PubChem CID109298724
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13(25)21-15-7-9-16(10-8-15)22-18(26)17-11-12-20-19(24-17)23-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyQFJASGDZCMEJDY-UHFFFAOYSA-N
XLogP3.43
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298906
2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide (CID 109298724) is N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The InChIKey is QFJASGDZCMEJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(25)21-15-7-9-16(10-8-15)22-18(26)17-11-12-20-19(24-17)23-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,25)(H,22,26)(H,20,23,24).
What are the key properties of N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).