2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

C21H22N4O — CID 109373529

IUPAC2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCCc2ccccc2)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-16-23-19(21(26)25-18-12-6-3-7-13-18)15-20(24-16)22-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,25,26)(H,22,23,24)
InChIKeySHOWQYZPYULVCN-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds7

About 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109373529) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109373529
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCCc2ccccc2)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-16-23-19(21(26)25-18-12-6-3-7-13-18)15-20(24-16)22-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,25,26)(H,22,23,24)
InChIKeySHOWQYZPYULVCN-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.08
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-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371487
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109362188
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
N-(2,6-dimethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371484
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
CID 109361668

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109373529) is 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is Cc1nc(NCCCc2ccccc2)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is SHOWQYZPYULVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-23-19(21(26)25-18-12-6-3-7-13-18)15-20(24-16)22-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).