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

C19H17FN4O3 — CID 109357948

IUPACN-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3)ncn2)cc1OC
InChIInChI=1S/C19H17FN4O3/c1-26-16-8-7-14(9-17(16)27-2)24-19(25)15-10-18(22-11-21-15)23-13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyPCXIABDUONDLTD-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.63
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109357948) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109357948
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3)ncn2)cc1OC
InChIInChI=1S/C19H17FN4O3/c1-26-16-8-7-14(9-17(16)27-2)24-19(25)15-10-18(22-11-21-15)23-13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyPCXIABDUONDLTD-UHFFFAOYSA-N
XLogP3.63
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
6-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348458
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259
6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357654
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
CID 46179432
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide (CID 109357948) is N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3)ncn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is PCXIABDUONDLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-26-16-8-7-14(9-17(16)27-2)24-19(25)15-10-18(22-11-21-15)23-13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).