N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine

C15H13N3S — CID 80883966

IUPACN-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc3ccccc3c2)ncn1
InChIInChI=1S/C15H13N3S/c1-16-14-9-15(18-10-17-14)19-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,16,17,18)
InChIKeyVXJWGZHTKQLPKV-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.82
Rot. Bonds3

About N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine

N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80883966) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
PubChem CID80883966
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc3ccccc3c2)ncn1
InChIInChI=1S/C15H13N3S/c1-16-14-9-15(18-10-17-14)19-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,16,17,18)
InChIKeyVXJWGZHTKQLPKV-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine (CID 80883966) is N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine is CNc1cc(Sc2ccc3ccccc3c2)ncn1.
What is the InChIKey of N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is VXJWGZHTKQLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-16-14-9-15(18-10-17-14)19-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine?
N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 267.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80883966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).