N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine

C13H14FN3 — CID 62959074

IUPACN-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCc2ccccc2F)n1
InChIInChI=1S/C13H14FN3/c1-10-6-8-15-13(17-10)16-9-7-11-4-2-3-5-12(11)14/h2-6,8H,7,9H2,1H3,(H,15,16,17)
InChIKeyNOJODDDSODSFDV-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine

N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine (PubChem CID 62959074) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
PubChem CID62959074
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCc2ccccc2F)n1
InChIInChI=1S/C13H14FN3/c1-10-6-8-15-13(17-10)16-9-7-11-4-2-3-5-12(11)14/h2-6,8H,7,9H2,1H3,(H,15,16,17)
InChIKeyNOJODDDSODSFDV-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
2-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112894601
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383463
2-[2-(2-fluorophenyl)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295360
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112891882
2-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109308221
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892529
2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300183
2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide
CID 133310012
2-N-[2-(2-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908501

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine (CID 62959074) is N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCCc2ccccc2F)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The InChIKey is NOJODDDSODSFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-10-6-8-15-13(17-10)16-9-7-11-4-2-3-5-12(11)14/h2-6,8H,7,9H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine has a molecular weight of 231.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 62959074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).