N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide

C19H23N5O2 — CID 46880877

IUPACN-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H23N5O2/c1-13(25)22-15-7-9-16(10-8-15)24-19(26)17-11-18(21-12-20-17)23-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyOZENGBYVOMOPLR-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.43
Rot. Bonds5

About N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide

N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide (PubChem CID 46880877) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
PubChem CID46880877
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H23N5O2/c1-13(25)22-15-7-9-16(10-8-15)24-19(26)17-11-18(21-12-20-17)23-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyOZENGBYVOMOPLR-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

6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918
6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
CID 59447103
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
CID 59446849
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109354032
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341303

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide (CID 46880877) is N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide?
The InChIKey is OZENGBYVOMOPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(25)22-15-7-9-16(10-8-15)24-19(26)17-11-18(21-12-20-17)23-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,22,25)(H,24,26)(H,20,21,23).
What are the key properties of N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide?
N-(4-acetamidophenyl)-6-(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)-6-(cyclohexylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 46880877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).