6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide

C19H25N5O — CID 112852103

IUPAC6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N5O/c1-4-11-21-19(25)16-14-17(20-12-8-13-24(2)3)23-18(22-16)15-9-6-5-7-10-15/h4-7,9-10,14H,1,8,11-13H2,2-3H3,(H,21,25)(H,20,22,23)
InChIKeyMHGWUACBQMTXDT-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.42
Rot. Bonds9

About 6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide

6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 112852103) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID112852103
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N5O/c1-4-11-21-19(25)16-14-17(20-12-8-13-24(2)3)23-18(22-16)15-9-6-5-7-10-15/h4-7,9-10,14H,1,8,11-13H2,2-3H3,(H,21,25)(H,20,22,23)
InChIKeyMHGWUACBQMTXDT-UHFFFAOYSA-N
XLogP2.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361367
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852193
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313
6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
CID 109165269
N-[(2-chlorophenyl)methyl]-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851986

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide (CID 112852103) is 6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(NCCCN(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is MHGWUACBQMTXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-11-21-19(25)16-14-17(20-12-8-13-24(2)3)23-18(22-16)15-9-6-5-7-10-15/h4-7,9-10,14H,1,8,11-13H2,2-3H3,(H,21,25)(H,20,22,23).
What are the key properties of 6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide?
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.42, 9 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-phenyl-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).