6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide

C19H18N4O3 — CID 109355744

IUPAC6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3)ncn2)cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-16-9-8-14(10-17(16)26-2)23-19(24)15-11-18(21-12-20-15)22-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLWNNFFZITWRWPM-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.49
Rot. Bonds6

About 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide

6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109355744) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109355744
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3)ncn2)cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-16-9-8-14(10-17(16)26-2)23-19(24)15-11-18(21-12-20-15)22-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLWNNFFZITWRWPM-UHFFFAOYSA-N
XLogP3.49
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357948
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259
6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357654
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(3,4-dimethoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353612

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide (CID 109355744) is 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccccc3)ncn2)cc1OC.
What is the InChIKey of 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is LWNNFFZITWRWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-16-9-8-14(10-17(16)26-2)23-19(24)15-11-18(21-12-20-15)22-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide?
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).