2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile

C14H13FN4 — CID 110383463

IUPAC2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCc2ccccc2F)n1
InChIInChI=1S/C14H13FN4/c1-10-8-12(9-16)19-14(18-10)17-7-6-11-4-2-3-5-13(11)15/h2-5,8H,6-7H2,1H3,(H,17,18,19)
InChIKeyIRMWFNQDWHMXHV-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.45
Rot. Bonds4

About 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile

2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 110383463) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID110383463
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCc2ccccc2F)n1
InChIInChI=1S/C14H13FN4/c1-10-8-12(9-16)19-14(18-10)17-7-6-11-4-2-3-5-13(11)15/h2-5,8H,6-7H2,1H3,(H,17,18,19)
InChIKeyIRMWFNQDWHMXHV-UHFFFAOYSA-N
XLogP2.45
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544870
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 32682078
2-N-[2-(2-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908501
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909263
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910002
4-N-(4-chlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920686
2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543250
4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908693
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330696

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile (CID 110383463) is 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCCc2ccccc2F)n1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is IRMWFNQDWHMXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-10-8-12(9-16)19-14(18-10)17-7-6-11-4-2-3-5-13(11)15/h2-5,8H,6-7H2,1H3,(H,17,18,19).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile?
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 110383463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).