2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine

C16H14ClN3 — CID 62338500

IUPAC2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
SMILESCCN(c1ccnc(Cl)n1)c1cccc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-2-20(15-10-11-18-16(17)19-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3
InChIKeyNFVATABYWFMDCF-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine

2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 62338500) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
PubChem CID62338500
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
SMILESCCN(c1ccnc(Cl)n1)c1cccc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-2-20(15-10-11-18-16(17)19-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3
InChIKeyNFVATABYWFMDCF-UHFFFAOYSA-N
XLogP4.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine (CID 62338500) is 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine is CCN(c1ccnc(Cl)n1)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is NFVATABYWFMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-2-20(15-10-11-18-16(17)19-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine?
2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 62338500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).