6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

C17H22N4O3 — CID 109340512

IUPAC6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCC(C)C)ncn2)c1
InChIInChI=1S/C17H22N4O3/c1-11(2)9-18-17(22)14-8-16(20-10-19-14)21-13-7-12(23-3)5-6-15(13)24-4/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeyPBLOLGYMBTVKPW-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.62
Rot. Bonds7

About 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109340512) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109340512
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCC(C)C)ncn2)c1
InChIInChI=1S/C17H22N4O3/c1-11(2)9-18-17(22)14-8-16(20-10-19-14)21-13-7-12(23-3)5-6-15(13)24-4/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeyPBLOLGYMBTVKPW-UHFFFAOYSA-N
XLogP2.62
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357381
5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272862
6-(2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349205
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359207
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
N-(2,5-dimethoxyphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343225
N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109340888
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109340512) is 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is COc1ccc(OC)c(Nc2cc(C(=O)NCC(C)C)ncn2)c1.
What is the InChIKey of 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is PBLOLGYMBTVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)9-18-17(22)14-8-16(20-10-19-14)21-13-7-12(23-3)5-6-15(13)24-4/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).