N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109340888

IUPACN-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cc(C)ccc2OC)ncn1
InChIInChI=1S/C17H22N4O2/c1-5-12(3)20-17(22)14-9-16(19-10-18-14)21-13-8-11(2)6-7-15(13)23-4/h6-10,12H,5H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyMYENNNLCJKAQFY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds6

About N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109340888) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
PubChem CID109340888
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cc(C)ccc2OC)ncn1
InChIInChI=1S/C17H22N4O2/c1-5-12(3)20-17(22)14-9-16(19-10-18-14)21-13-8-11(2)6-7-15(13)23-4/h6-10,12H,5H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyMYENNNLCJKAQFY-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109273244
6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347713
methyl 2-[[6-(butan-2-ylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340901
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109340845
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
ethyl 2-[[6-(butan-2-ylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340941
N-butan-2-yl-6-(5-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340874
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003
N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340809
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346083

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (CID 109340888) is N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2cc(C)ccc2OC)ncn1.
What is the InChIKey of N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is MYENNNLCJKAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-12(3)20-17(22)14-9-16(19-10-18-14)21-13-8-11(2)6-7-15(13)23-4/h6-10,12H,5H2,1-4H3,(H,20,22)(H,18,19,21).
What are the key properties of N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).