6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

C18H24N4O — CID 112851582

IUPAC6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-12(2)11-19-16-10-15(18(23)20-13(3)4)21-17(22-16)14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyVFBLNCAAOIWJPG-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.35
Rot. Bonds6

About 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 112851582) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID112851582
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-12(2)11-19-16-10-15(18(23)20-13(3)4)21-17(22-16)14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyVFBLNCAAOIWJPG-UHFFFAOYSA-N
XLogP3.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852404
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(2-methylpropylamino)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
CID 67463433
[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112852344
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
N-butan-2-yl-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851959
6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851649
2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112851683
6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851607

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 112851582) is 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)CNc1cc(C(=O)NC(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is VFBLNCAAOIWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)11-19-16-10-15(18(23)20-13(3)4)21-17(22-16)14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3,(H,20,23)(H,19,21,22).
What are the key properties of 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).