2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide

C18H14F2N4O — CID 109336871

IUPAC2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H14F2N4O/c1-11-9-16(17(25)22-15-4-2-3-13(20)10-15)24-18(21-11)23-14-7-5-12(19)6-8-14/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyGFUZTCYUHVZNPY-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.06
Rot. Bonds4

About 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide

2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336871) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109336871
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H14F2N4O/c1-11-9-16(17(25)22-15-4-2-3-13(20)10-15)24-18(21-11)23-14-7-5-12(19)6-8-14/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyGFUZTCYUHVZNPY-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337761
2-[4-(dimethylamino)anilino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336925
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337616
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336845
N-(3-chloro-2-methylphenyl)-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337215
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
N-(3-chlorophenyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336543

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109336871) is 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(F)c2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is GFUZTCYUHVZNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-11-9-16(17(25)22-15-4-2-3-13(20)10-15)24-18(21-11)23-14-7-5-12(19)6-8-14/h2-10H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).