6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide

C16H26N4O2 — CID 109363776

IUPAC6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(NC2CCCCC2)nc(C)n1
InChIInChI=1S/C16H26N4O2/c1-12-18-14(16(21)17-9-6-10-22-2)11-15(19-12)20-13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyWEHRZTCGUZGNRB-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.30
Rot. Bonds7

About 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109363776) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109363776
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(NC2CCCCC2)nc(C)n1
InChIInChI=1S/C16H26N4O2/c1-12-18-14(16(21)17-9-6-10-22-2)11-15(19-12)20-13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyWEHRZTCGUZGNRB-UHFFFAOYSA-N
XLogP2.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109363807
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360175
6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371830
4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363819
N-[2-(cyclohexen-1-yl)ethyl]-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363774
6-(cyclohexylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363792
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide (CID 109363776) is 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(NC2CCCCC2)nc(C)n1.
What is the InChIKey of 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is WEHRZTCGUZGNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-18-14(16(21)17-9-6-10-22-2)11-15(19-12)20-13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).