6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide

C19H18N4O3 — CID 109355840

IUPAC6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c(OC)c1
InChIInChI=1S/C19H18N4O3/c1-25-14-8-9-15(17(10-14)26-2)23-18-11-16(20-12-21-18)19(24)22-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyMNAYMRUBQBPXNV-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.49
Rot. Bonds6

About 6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide

6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109355840) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109355840
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c(OC)c1
InChIInChI=1S/C19H18N4O3/c1-25-14-8-9-15(17(10-14)26-2)23-18-11-16(20-12-21-18)19(24)22-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyMNAYMRUBQBPXNV-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

6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357540
6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357381
6-(4-chloro-2-methylanilino)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109358426
6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
methyl 2-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109358852

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide (CID 109355840) is 6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is MNAYMRUBQBPXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-14-8-9-15(17(10-14)26-2)23-18-11-16(20-12-21-18)19(24)22-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide?
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-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-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).