N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide

C16H20N4O — CID 109340845

IUPACN-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccccc2C)ncn1
InChIInChI=1S/C16H20N4O/c1-4-12(3)19-16(21)14-9-15(18-10-17-14)20-13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyLIUOAFXWGOEVFL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds5

About N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide

N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109340845) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
PubChem CID109340845
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccccc2C)ncn1
InChIInChI=1S/C16H20N4O/c1-4-12(3)19-16(21)14-9-15(18-10-17-14)20-13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyLIUOAFXWGOEVFL-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-(5-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340874
ethyl 2-[[6-(butan-2-ylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340941
methyl 2-[[6-(butan-2-ylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340901
N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109340865
N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109340888
6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340900
6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340918
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080207
ethyl 2-[[6-(2-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109355963
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide (CID 109340845) is N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccccc2C)ncn1.
What is the InChIKey of N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is LIUOAFXWGOEVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-12(3)19-16(21)14-9-15(18-10-17-14)20-13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide?
N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).