6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

C19H26N4O — CID 109328129

IUPAC6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCCCCCNc1nc(C)cc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-4-5-9-12-20-19-21-14(2)13-17(23-19)18(24)22-15(3)16-10-7-6-8-11-16/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyZJIJFKFWSYCAJD-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.88
Rot. Bonds8

About 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109328129) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109328129
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCCCCCNc1nc(C)cc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-4-5-9-12-20-19-21-14(2)13-17(23-19)18(24)22-15(3)16-10-7-6-8-11-16/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyZJIJFKFWSYCAJD-UHFFFAOYSA-N
XLogP3.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328111
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109333333
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109339831
2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330967
2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320523
6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156212
N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333387
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330867

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109328129) is 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is CCCCCNc1nc(C)cc(C(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is ZJIJFKFWSYCAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-5-9-12-20-19-21-14(2)13-17(23-19)18(24)22-15(3)16-10-7-6-8-11-16/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3,(H,22,24)(H,20,21,23).
What are the key properties of 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109328129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).