N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine

C19H17FN4O — CID 144998412

IUPACN-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine
SMILES[H]/N=C(\C)c1ccc(OC)cc1Nc1ncc(-c2ccccc2F)cn1
InChIInChI=1S/C19H17FN4O/c1-12(21)15-8-7-14(25-2)9-18(15)24-19-22-10-13(11-23-19)16-5-3-4-6-17(16)20/h3-11,21H,1-2H3,(H,22,23,24)/b21-12+
InChIKeyJVJZRTZJGKBNIW-CIAFOILYSA-N
MW336.37 g/mol
LogP4.42
Rot. Bonds5

About N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine

N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine (PubChem CID 144998412) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine
PubChem CID144998412
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine
SMILES[H]/N=C(\C)c1ccc(OC)cc1Nc1ncc(-c2ccccc2F)cn1
InChIInChI=1S/C19H17FN4O/c1-12(21)15-8-7-14(25-2)9-18(15)24-19-22-10-13(11-23-19)16-5-3-4-6-17(16)20/h3-11,21H,1-2H3,(H,22,23,24)/b21-12+
InChIKeyJVJZRTZJGKBNIW-CIAFOILYSA-N
XLogP4.42
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[5-(2-fluorophenyl)pyrimidin-2-yl]amino]-4-(2,2,2-trifluoroethanimidoyl)benzoate
CID 144998404
2-(2-ethanimidoyl-5-methoxyanilino)acetamide
CID 144505829
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269969
1-(4-methoxy-2-propoxyphenyl)ethanimine
CID 123923522
5-(2-fluorophenyl)-2-methoxy-3-methylpyridine
CID 46312944
2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269933
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methoxyphenol
CID 121002920
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 23025909
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone
CID 82536619
5-iodo-N-(4-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 116648971

Frequently Asked Questions

What is the IUPAC name of N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine (CID 144998412) is N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine is [H]/N=C(\C)c1ccc(OC)cc1Nc1ncc(-c2ccccc2F)cn1.
What is the InChIKey of N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine?
The InChIKey is JVJZRTZJGKBNIW-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12(21)15-8-7-14(25-2)9-18(15)24-19-22-10-13(11-23-19)16-5-3-4-6-17(16)20/h3-11,21H,1-2H3,(H,22,23,24)/b21-12+.
What are the key properties of N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine?
N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine has a molecular weight of 336.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 144998412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).