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

C20H26N4O — CID 59446849

IUPAC6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
SMILESCCCc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C20H26N4O/c1-2-6-15-9-11-17(12-10-15)24-20(25)18-13-19(22-14-21-18)23-16-7-4-3-5-8-16/h9-14,16H,2-8H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyDRYPJEFVINMRRR-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.43
Rot. Bonds6

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

6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide (PubChem CID 59446849) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
PubChem CID59446849
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
SMILESCCCc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C20H26N4O/c1-2-6-15-9-11-17(12-10-15)24-20(25)18-13-19(22-14-21-18)23-16-7-4-3-5-8-16/h9-14,16H,2-8H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyDRYPJEFVINMRRR-UHFFFAOYSA-N
XLogP4.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918
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-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
CID 59447103
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
N-[2-(4-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341245
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109341235
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109354032
6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109341832
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide (CID 59446849) is 6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide is CCCc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of 6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DRYPJEFVINMRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-6-15-9-11-17(12-10-15)24-20(25)18-13-19(22-14-21-18)23-16-7-4-3-5-8-16/h9-14,16H,2-8H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59446849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).