6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine

C17H14ClF2N3 — CID 135380086

IUPAC6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine
SMILESFC(F)c1ccc2ccccc2c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C17H14ClF2N3/c18-15-9-16(23-10-22-15)21-8-7-13-12-4-2-1-3-11(12)5-6-14(13)17(19)20/h1-6,9-10,17H,7-8H2,(H,21,22,23)
InChIKeyWDISHMSQJPWCAY-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.88
Rot. Bonds5

About 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine

6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine (PubChem CID 135380086) has the molecular formula C17H14ClF2N3 and a molecular weight of 333.77 g/mol. Its IUPAC name is 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine
PubChem CID135380086
Molecular FormulaC17H14ClF2N3
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine
SMILESFC(F)c1ccc2ccccc2c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C17H14ClF2N3/c18-15-9-16(23-10-22-15)21-8-7-13-12-4-2-1-3-11(12)5-6-14(13)17(19)20/h1-6,9-10,17H,7-8H2,(H,21,22,23)
InChIKeyWDISHMSQJPWCAY-UHFFFAOYSA-N
XLogP4.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-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

6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
CID 135380668
6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
CID 135380074
6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
CID 135380861
3-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]-1-fluoronaphthalen-2-ol
CID 135382034
6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine
CID 135381983
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
6-chloro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193067
6-chloro-N-[2-[4-(difluoromethyl)-5-fluoro-2-methoxyphenyl]ethyl]pyrimidin-4-amine
CID 135381055
6-chloro-N-[2-[2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
CID 135381332
6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine
CID 142472983
6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine
CID 135381034
6-chloro-N-[2-(7-chloro-5-fluoro-2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine
CID 150715184

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine (CID 135380086) is 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine is FC(F)c1ccc2ccccc2c1CCNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine?
The InChIKey is WDISHMSQJPWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3/c18-15-9-16(23-10-22-15)21-8-7-13-12-4-2-1-3-11(12)5-6-14(13)17(19)20/h1-6,9-10,17H,7-8H2,(H,21,22,23).
What are the key properties of 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine?
6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine has a molecular weight of 333.77 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135380086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).