6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide

C17H14ClFN4O2 — CID 109368165

IUPAC6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)c(Cl)c2)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H14ClFN4O2/c1-10-21-15(17(24)20-9-12-3-2-6-25-12)8-16(22-10)23-11-4-5-14(19)13(18)7-11/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYPAPGBGPMNBONH-UHFFFAOYSA-N
MW360.78 g/mol
LogP3.84
Rot. Bonds5

About 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide

6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368165) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368165
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)c(Cl)c2)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H14ClFN4O2/c1-10-21-15(17(24)20-9-12-3-2-6-25-12)8-16(22-10)23-11-4-5-14(19)13(18)7-11/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYPAPGBGPMNBONH-UHFFFAOYSA-N
XLogP3.84
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109368150
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142
6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368156
6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368191
6-(3-chloro-4-fluoroanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366264
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
6-(3-chloro-4-fluoroanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373594
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide (CID 109368165) is 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)c(Cl)c2)cc(C(=O)NCc2ccco2)n1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is YPAPGBGPMNBONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c1-10-21-15(17(24)20-9-12-3-2-6-25-12)8-16(22-10)23-11-4-5-14(19)13(18)7-11/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 360.78 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).