N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide

C17H11Cl2FN4O — CID 109318480

IUPACN-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C17H11Cl2FN4O/c18-12-5-2-6-13(19)15(12)24-16(25)14-7-8-21-17(23-14)22-11-4-1-3-10(20)9-11/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyWIMQRQVNSCKNDQ-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.92
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide

N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109318480) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109318480
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC NameN-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C17H11Cl2FN4O/c18-12-5-2-6-13(19)15(12)24-16(25)14-7-8-21-17(23-14)22-11-4-1-3-10(20)9-11/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyWIMQRQVNSCKNDQ-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109318502
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750
N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300300
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109310906
N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313884
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109318573
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315373

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide (CID 109318480) is N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1ccnc(Nc2cccc(F)c2)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is WIMQRQVNSCKNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-12-5-2-6-13(19)15(12)24-16(25)14-7-8-21-17(23-14)22-11-4-1-3-10(20)9-11/h1-9H,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide?
N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).