N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide

C19H25N5O2 — CID 112846543

IUPACN-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NCCC(C)C)nc(C)n2)c1
InChIInChI=1S/C19H25N5O2/c1-12(2)8-9-20-18-11-17(21-13(3)22-18)19(26)24-16-7-5-6-15(10-16)23-14(4)25/h5-7,10-12H,8-9H2,1-4H3,(H,23,25)(H,24,26)(H,20,21,22)
InChIKeyXGLMRQDNSLQRBW-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.45
Rot. Bonds7

About N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 112846543) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID112846543
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NCCC(C)C)nc(C)n2)c1
InChIInChI=1S/C19H25N5O2/c1-12(2)8-9-20-18-11-17(21-13(3)22-18)19(26)24-16-7-5-6-15(10-16)23-14(4)25/h5-7,10-12H,8-9H2,1-4H3,(H,23,25)(H,24,26)(H,20,21,22)
InChIKeyXGLMRQDNSLQRBW-UHFFFAOYSA-N
XLogP3.45
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846528
N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287947
N-(3-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366425
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846561
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 112846570
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850553

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 112846543) is N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(NCCC(C)C)nc(C)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is XGLMRQDNSLQRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12(2)8-9-20-18-11-17(21-13(3)22-18)19(26)24-16-7-5-6-15(10-16)23-14(4)25/h5-7,10-12H,8-9H2,1-4H3,(H,23,25)(H,24,26)(H,20,21,22).
What are the key properties of N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).