6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

C19H27N5O — CID 109366623

IUPAC6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCCN(C)C)cc(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C19H27N5O/c1-13-7-8-16(11-14(13)2)23-19(25)17-12-18(22-15(3)21-17)20-9-6-10-24(4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,23,25)(H,20,21,22)
InChIKeyRYDPPCAEQKQEQQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.02
Rot. Bonds7

About 6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109366623) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109366623
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCCN(C)C)cc(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C19H27N5O/c1-13-7-8-16(11-14(13)2)23-19(25)17-12-18(22-15(3)21-17)20-9-6-10-24(4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,23,25)(H,20,21,22)
InChIKeyRYDPPCAEQKQEQQ-UHFFFAOYSA-N
XLogP3.02
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.02
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]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
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-[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-prop-2-enylpyrimidine-4-carboxamide
CID 109361367
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366104
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
CID 109361668
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109366623) is 6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(NCCCN(C)C)cc(C(=O)Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is RYDPPCAEQKQEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-7-8-16(11-14(13)2)23-19(25)17-12-18(22-15(3)21-17)20-9-6-10-24(4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,23,25)(H,20,21,22).
What are the key properties of 6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.02, 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]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).