2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine

C13H15N3OS — CID 80653857

IUPAC2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccccc1SCc1nc(C)cc(N)n1
InChIInChI=1S/C13H15N3OS/c1-9-7-12(14)16-13(15-9)8-18-11-6-4-3-5-10(11)17-2/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyIFQDIHZAVVMKIX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.67
Rot. Bonds4

About 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine

2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine (PubChem CID 80653857) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
PubChem CID80653857
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccccc1SCc1nc(C)cc(N)n1
InChIInChI=1S/C13H15N3OS/c1-9-7-12(14)16-13(15-9)8-18-11-6-4-3-5-10(11)17-2/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyIFQDIHZAVVMKIX-UHFFFAOYSA-N
XLogP2.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine (CID 80653857) is 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine is COc1ccccc1SCc1nc(C)cc(N)n1.
What is the InChIKey of 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
The InChIKey is IFQDIHZAVVMKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-7-12(14)16-13(15-9)8-18-11-6-4-3-5-10(11)17-2/h3-7H,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80653857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).