6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine

C15H17ClFN3 — CID 63729056

IUPAC6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C15H17ClFN3/c1-9-14(16)18-11(3)19-15(9)20(4)10(2)12-7-5-6-8-13(12)17/h5-8,10H,1-4H3
InChIKeyVOPDDXJPIRHXAQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.08
Rot. Bonds3

About 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine

6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 63729056) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
PubChem CID63729056
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C15H17ClFN3/c1-9-14(16)18-11(3)19-15(9)20(4)10(2)12-7-5-6-8-13(12)17/h5-8,10H,1-4H3
InChIKeyVOPDDXJPIRHXAQ-UHFFFAOYSA-N
XLogP4.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-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-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83157199
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
CID 62980701
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
CID 55140097
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717
[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
CID 62984852
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367909
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
CID 63062748
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine
CID 80636823
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327502

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine (CID 63729056) is 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(N(C)C(C)c2ccccc2F)n1.
What is the InChIKey of 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is VOPDDXJPIRHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-9-14(16)18-11(3)19-15(9)20(4)10(2)12-7-5-6-8-13(12)17/h5-8,10H,1-4H3.
What are the key properties of 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine?
6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 63729056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).