4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide

C17H22N4O — CID 42670139

IUPAC4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C17H22N4O/c1-12(2)10-19-17(22)14-11-18-15(20-16(14)21(3)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,19,22)
InChIKeyGGWXBYVWFZWGRU-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds5

About 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide

4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 42670139) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID42670139
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C17H22N4O/c1-12(2)10-19-17(22)14-11-18-15(20-16(14)21(3)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,19,22)
InChIKeyGGWXBYVWFZWGRU-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide (CID 42670139) is 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(-c2ccccc2)nc1N(C)C.
What is the InChIKey of 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is GGWXBYVWFZWGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)10-19-17(22)14-11-18-15(20-16(14)21(3)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,19,22).
What are the key properties of 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide?
4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 42670139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).