6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C19H24N4O — CID 109341823

IUPAC6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(NC3CCCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-14-6-5-7-15(10-14)12-20-19(24)17-11-18(22-13-21-17)23-16-8-3-2-4-9-16/h5-7,10-11,13,16H,2-4,8-9,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeySQPJWMHLJSYCHN-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.46
Rot. Bonds5

About 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109341823) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109341823
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(NC3CCCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-14-6-5-7-15(10-14)12-20-19(24)17-11-18(22-13-21-17)23-16-8-3-2-4-9-16/h5-7,10-11,13,16H,2-4,8-9,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeySQPJWMHLJSYCHN-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109341836
N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109341832
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859063
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
N-(1,3-benzodioxol-5-ylmethyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109349324
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
CID 118410954
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341274

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109341823) is 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2cc(NC3CCCCC3)ncn2)c1.
What is the InChIKey of 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is SQPJWMHLJSYCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-6-5-7-15(10-14)12-20-19(24)17-11-18(22-13-21-17)23-16-8-3-2-4-9-16/h5-7,10-11,13,16H,2-4,8-9,12H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109341823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).