2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide

C19H14FN5O — CID 109336942

IUPAC2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C19H14FN5O/c1-12-10-17(18(26)23-15-8-6-14(20)7-9-15)25-19(22-12)24-16-5-3-2-4-13(16)11-21/h2-10H,1H3,(H,23,26)(H,22,24,25)
InChIKeyBFSNWSAHDNZAPZ-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide

2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336942) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109336942
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C19H14FN5O/c1-12-10-17(18(26)23-15-8-6-14(20)7-9-15)25-19(22-12)24-16-5-3-2-4-13(16)11-21/h2-10H,1H3,(H,23,26)(H,22,24,25)
InChIKeyBFSNWSAHDNZAPZ-UHFFFAOYSA-N
XLogP3.79
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
N-(4-fluorophenyl)-6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109336915
N-(2-cyanophenyl)-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328716
N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-(4-chloro-2-methylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337276
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330790
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109336942) is 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2)nc(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is BFSNWSAHDNZAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-12-10-17(18(26)23-15-8-6-14(20)7-9-15)25-19(22-12)24-16-5-3-2-4-13(16)11-21/h2-10H,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).