6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide

C16H17N5O — CID 109360365

IUPAC6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cccc(C#N)c2)nc(C)n1
InChIInChI=1S/C16H17N5O/c1-3-7-18-16(22)14-9-15(20-11(2)19-14)21-13-6-4-5-12(8-13)10-17/h4-6,8-9H,3,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyIUZOCGUAQPDGBL-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.54
Rot. Bonds5

About 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide

6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109360365) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109360365
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cccc(C#N)c2)nc(C)n1
InChIInChI=1S/C16H17N5O/c1-3-7-18-16(22)14-9-15(20-11(2)19-14)21-13-6-4-5-12(8-13)10-17/h4-6,8-9H,3,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyIUZOCGUAQPDGBL-UHFFFAOYSA-N
XLogP2.54
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939
6-(3-cyanoanilino)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849468
6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848468
6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849978
6-(3-cyanoanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354614
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846868
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366328
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
6-(3-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109373001
2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846602
6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850277

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide (CID 109360365) is 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2cccc(C#N)c2)nc(C)n1.
What is the InChIKey of 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is IUZOCGUAQPDGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-7-18-16(22)14-9-15(20-11(2)19-14)21-13-6-4-5-12(8-13)10-17/h4-6,8-9H,3,7H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).