N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide

C19H16FN5O2 — CID 46179432

IUPACN-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
SMILESCNC(=O)c1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C19H16FN5O2/c1-21-18(26)12-2-6-14(7-3-12)24-17-10-16(22-11-23-17)19(27)25-15-8-4-13(20)5-9-15/h2-11H,1H3,(H,21,26)(H,25,27)(H,22,23,24)
InChIKeyJYISWTDLROTMHN-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.97
Rot. Bonds5

About N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide

N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide (PubChem CID 46179432) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
PubChem CID46179432
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
SMILESCNC(=O)c1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C19H16FN5O2/c1-21-18(26)12-2-6-14(7-3-12)24-17-10-16(22-11-23-17)19(27)25-15-8-4-13(20)5-9-15/h2-11H,1H3,(H,21,26)(H,25,27)(H,22,23,24)
InChIKeyJYISWTDLROTMHN-UHFFFAOYSA-N
XLogP2.97
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357948
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
6-(tert-butylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109353761
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358024
N-(2,3-dimethylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357205

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide (CID 46179432) is N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide is CNC(=O)c1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is JYISWTDLROTMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-21-18(26)12-2-6-14(7-3-12)24-17-10-16(22-11-23-17)19(27)25-15-8-4-13(20)5-9-15/h2-11H,1H3,(H,21,26)(H,25,27)(H,22,23,24).
What are the key properties of N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 46179432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).