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

C19H24N4O2 — CID 109341832

IUPAC6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-16-9-7-14(8-10-16)12-20-19(24)17-11-18(22-13-21-17)23-15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyDIMXWYKNJWWNNY-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.16
Rot. Bonds6

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

6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109341832) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109341832
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-16-9-7-14(8-10-16)12-20-19(24)17-11-18(22-13-21-17)23-15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyDIMXWYKNJWWNNY-UHFFFAOYSA-N
XLogP3.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109341235
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate
CID 134069591
6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342983
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
N-(1,3-benzodioxol-5-ylmethyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109349324
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109341836
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
6-(butylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109339838
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 109341832) is 6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of 6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is DIMXWYKNJWWNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-16-9-7-14(8-10-16)12-20-19(24)17-11-18(22-13-21-17)23-15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109341832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).