6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile

C13H11FN4 — CID 115143016

IUPAC6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
SMILESCN(Cc1ccccc1F)c1cc(C#N)ncn1
InChIInChI=1S/C13H11FN4/c1-18(8-10-4-2-3-5-12(10)14)13-6-11(7-15)16-9-17-13/h2-6,9H,8H2,1H3
InChIKeyKQOGNAKGSWZGJD-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.12
Rot. Bonds3

About 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile

6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile (PubChem CID 115143016) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
PubChem CID115143016
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
SMILESCN(Cc1ccccc1F)c1cc(C#N)ncn1
InChIInChI=1S/C13H11FN4/c1-18(8-10-4-2-3-5-12(10)14)13-6-11(7-15)16-9-17-13/h2-6,9H,8H2,1H3
InChIKeyKQOGNAKGSWZGJD-UHFFFAOYSA-N
XLogP2.12
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142996
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 115143006
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 47078108
6-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66456456
4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265534
3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile
CID 80510429
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80794453

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile (CID 115143016) is 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile is CN(Cc1ccccc1F)c1cc(C#N)ncn1.
What is the InChIKey of 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
The InChIKey is KQOGNAKGSWZGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-18(8-10-4-2-3-5-12(10)14)13-6-11(7-15)16-9-17-13/h2-6,9H,8H2,1H3.
What are the key properties of 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).