6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

C18H14Cl2N4O2 — CID 109358777

IUPAC6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-15-8-3-2-6-12(15)24-18(25)14-9-16(22-10-21-14)23-13-7-4-5-11(19)17(13)20/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyPFXGPDCFXKTVJJ-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.79
Rot. Bonds5

About 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358777) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358777
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-15-8-3-2-6-12(15)24-18(25)14-9-16(22-10-21-14)23-13-7-4-5-11(19)17(13)20/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyPFXGPDCFXKTVJJ-UHFFFAOYSA-N
XLogP4.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
6-(2,4-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358773
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358673
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357807
6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358760
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358777) is 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(Nc2cccc(Cl)c2Cl)ncn1.
What is the InChIKey of 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is PFXGPDCFXKTVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-26-15-8-3-2-6-12(15)24-18(25)14-9-16(22-10-21-14)23-13-7-4-5-11(19)17(13)20/h2-10H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 389.24 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).