N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide

C20H20N4O4 — CID 109358796

IUPACN-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccc(OC)cc3OC)ncn2)c1
InChIInChI=1S/C20H20N4O4/c1-26-14-6-4-5-13(9-14)23-19-11-17(21-12-22-19)20(25)24-16-8-7-15(27-2)10-18(16)28-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyQYHMBWCDAJXJES-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.50
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109358796) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109358796
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccc(OC)cc3OC)ncn2)c1
InChIInChI=1S/C20H20N4O4/c1-26-14-6-4-5-13(9-14)23-19-11-17(21-12-22-19)20(25)24-16-8-7-15(27-2)10-18(16)28-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyQYHMBWCDAJXJES-UHFFFAOYSA-N
XLogP3.50
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
methyl 2-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358805
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109357754
6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338769
6-(4-chloro-2-methylanilino)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109358426
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358871

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109358796) is N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)Nc3ccc(OC)cc3OC)ncn2)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is QYHMBWCDAJXJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-26-14-6-4-5-13(9-14)23-19-11-17(21-12-22-19)20(25)24-16-8-7-15(27-2)10-18(16)28-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).