6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine

C17H16ClN3 — CID 63734571

IUPAC6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1cccc2ccccc12
InChIInChI=1S/C17H16ClN3/c1-11(2)15-16(18)19-10-20-17(15)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyHXBVUYNEOGXPJC-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.15
Rot. Bonds3

About 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63734571) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
PubChem CID63734571
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1cccc2ccccc12
InChIInChI=1S/C17H16ClN3/c1-11(2)15-16(18)19-10-20-17(15)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyHXBVUYNEOGXPJC-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine (CID 63734571) is 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1Nc1cccc2ccccc12.
What is the InChIKey of 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is HXBVUYNEOGXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11(2)15-16(18)19-10-20-17(15)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63734571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).