N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine

C13H14FN3 — CID 171701097

IUPACN-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(N(C)Cc2ccccc2F)nc1
InChIInChI=1S/C13H14FN3/c1-10-7-15-13(16-8-10)17(2)9-11-5-3-4-6-12(11)14/h3-8H,9H2,1-2H3
InChIKeyVUKNKRAGDHAWGU-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.56
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine

N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 171701097) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
PubChem CID171701097
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(N(C)Cc2ccccc2F)nc1
InChIInChI=1S/C13H14FN3/c1-10-7-15-13(16-8-10)17(2)9-11-5-3-4-6-12(11)14/h3-8H,9H2,1-2H3
InChIKeyVUKNKRAGDHAWGU-UHFFFAOYSA-N
XLogP2.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 107080917
2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 113387633
5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83184048
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794162
4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80794967
5-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 133424088
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 63077393
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340
N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584468

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine (CID 171701097) is N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine is Cc1cnc(N(C)Cc2ccccc2F)nc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is VUKNKRAGDHAWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-10-7-15-13(16-8-10)17(2)9-11-5-3-4-6-12(11)14/h3-8H,9H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine?
N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 231.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 171701097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).