N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide

C19H16F2N4O3 — CID 109269969

IUPACN-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3F)cn2)c(OC)c1
InChIInChI=1S/C19H16F2N4O3/c1-27-12-6-7-15(16(8-12)28-2)24-19-22-9-11(10-23-19)18(26)25-17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeySEMZBRZNMJIYLO-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.77
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide

N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109269969) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109269969
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC NameN-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3F)cn2)c(OC)c1
InChIInChI=1S/C19H16F2N4O3/c1-27-12-6-7-15(16(8-12)28-2)24-19-22-9-11(10-23-19)18(26)25-17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeySEMZBRZNMJIYLO-UHFFFAOYSA-N
XLogP3.77
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267735
2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267314
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523
2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269933
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260319
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide (CID 109269969) is N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide is COc1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3F)cn2)c(OC)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is SEMZBRZNMJIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-27-12-6-7-15(16(8-12)28-2)24-19-22-9-11(10-23-19)18(26)25-17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide?
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).