2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

C18H24N4O — CID 109248729

IUPAC2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)CNc1ncc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-12(2)9-19-18-20-10-15(11-21-18)17(23)22-16-7-5-14(6-8-16)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyDVIBUOZHEJPZCW-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.92
Rot. Bonds6

About 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109248729) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109248729
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)CNc1ncc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-12(2)9-19-18-20-10-15(11-21-18)17(23)22-16-7-5-14(6-8-16)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyDVIBUOZHEJPZCW-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248721
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248760
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320900
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
6-(ethylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62171187
6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109161164
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109248729) is 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is CC(C)CNc1ncc(C(=O)Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is DVIBUOZHEJPZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)9-19-18-20-10-15(11-21-18)17(23)22-16-7-5-14(6-8-16)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).