6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide

C17H23N5O — CID 109366614

IUPAC6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NCCCN(C)C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-13-19-15(17(23)21-14-8-5-4-6-9-14)12-16(20-13)18-10-7-11-22(2)3/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyZHIKKYRTBUDASC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.40
Rot. Bonds7

About 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide

6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109366614) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109366614
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NCCCN(C)C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-13-19-15(17(23)21-14-8-5-4-6-9-14)12-16(20-13)18-10-7-11-22(2)3/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyZHIKKYRTBUDASC-UHFFFAOYSA-N
XLogP2.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.40
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-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109366623
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361367
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109366701
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366096
N-(2-chloro-4,6-dimethylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylpyrimidine-4-carboxamide
CID 109366648
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366104
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109366141

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide (CID 109366614) is 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(NCCCN(C)C)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is ZHIKKYRTBUDASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-19-15(17(23)21-14-8-5-4-6-9-14)12-16(20-13)18-10-7-11-22(2)3/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,21,23)(H,18,19,20).
What are the key properties of 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).