2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine

C15H12ClN3O — CID 87714361

IUPAC2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine
SMILESCc1nc(Cl)nc(N)c1Oc1cccc2ccccc12
InChIInChI=1S/C15H12ClN3O/c1-9-13(14(17)19-15(16)18-9)20-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H2,17,18,19)
InChIKeyXVSYLFGTBLPRTC-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.97
Rot. Bonds2

About 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine

2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine (PubChem CID 87714361) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine
PubChem CID87714361
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine
SMILESCc1nc(Cl)nc(N)c1Oc1cccc2ccccc12
InChIInChI=1S/C15H12ClN3O/c1-9-13(14(17)19-15(16)18-9)20-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H2,17,18,19)
InChIKeyXVSYLFGTBLPRTC-UHFFFAOYSA-N
XLogP3.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine (CID 87714361) is 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine is Cc1nc(Cl)nc(N)c1Oc1cccc2ccccc12.
What is the InChIKey of 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine?
The InChIKey is XVSYLFGTBLPRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-13(14(17)19-15(16)18-9)20-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine?
2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine has a molecular weight of 285.73 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine is sourced from PubChem (CID 87714361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).