2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

C22H24N4O — CID 20959691

IUPAC2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESCc1nc(NCc2ccccc2)ncc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-20(21(27)23-14-8-13-18-9-4-2-5-10-18)16-25-22(26-17)24-15-19-11-6-3-7-12-19/h2-7,9-12,16H,8,13-15H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyPAMHJQJNJWJUJY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.76
Rot. Bonds8

About 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide (PubChem CID 20959691) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
PubChem CID20959691
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESCc1nc(NCc2ccccc2)ncc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-20(21(27)23-14-8-13-18-9-4-2-5-10-18)16-25-22(26-17)24-15-19-11-6-3-7-12-19/h2-7,9-12,16H,8,13-15H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyPAMHJQJNJWJUJY-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.76
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-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 20959702
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
N-benzyl-2-[3-(dimethylamino)propylamino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 45488377
5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 63208283
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 20959733

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide (CID 20959691) is 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide is Cc1nc(NCc2ccccc2)ncc1C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The InChIKey is PAMHJQJNJWJUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-20(21(27)23-14-8-13-18-9-4-2-5-10-18)16-25-22(26-17)24-15-19-11-6-3-7-12-19/h2-7,9-12,16H,8,13-15H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 20959691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).