6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

C21H28N4O3 — CID 109363819

IUPAC6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NC3CCCCC3)nc(C)n2)cc1OC
InChIInChI=1S/C21H28N4O3/c1-14-23-17(12-20(24-14)25-16-7-5-4-6-8-16)21(26)22-13-15-9-10-18(27-2)19(11-15)28-3/h9-12,16H,4-8,13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyJGHMQYYQUSKEMT-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.48
Rot. Bonds7

About 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109363819) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109363819
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NC3CCCCC3)nc(C)n2)cc1OC
InChIInChI=1S/C21H28N4O3/c1-14-23-17(12-20(24-14)25-16-7-5-4-6-8-16)21(26)22-13-15-9-10-18(27-2)19(11-15)28-3/h9-12,16H,4-8,13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyJGHMQYYQUSKEMT-UHFFFAOYSA-N
XLogP3.48
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847
2-(cyclopentylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109297894
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361212
6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109363807
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109341832
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109364849
5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 109363819) is 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(NC3CCCCC3)nc(C)n2)cc1OC.
What is the InChIKey of 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is JGHMQYYQUSKEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14-23-17(12-20(24-14)25-16-7-5-4-6-8-16)21(26)22-13-15-9-10-18(27-2)19(11-15)28-3/h9-12,16H,4-8,13H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).