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

C17H22N4O — CID 109246773

IUPACN-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H22N4O/c1-4-9-18-17-19-10-14(11-20-17)16(22)21-15-7-5-13(6-8-15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyAUWJOOUJHLNONR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.67
Rot. Bonds6

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

N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide (PubChem CID 109246773) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
PubChem CID109246773
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H22N4O/c1-4-9-18-17-19-10-14(11-20-17)16(22)21-15-7-5-13(6-8-15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyAUWJOOUJHLNONR-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109248729
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263536
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
6-(ethylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62171187
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide (CID 109246773) is N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide is CCCNc1ncc(C(=O)Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The InChIKey is AUWJOOUJHLNONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-9-18-17-19-10-14(11-20-17)16(22)21-15-7-5-13(6-8-15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109246773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).