2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine

C10H15N3S — CID 115331181

IUPAC2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCC2CC2)n1
InChIInChI=1S/C10H15N3S/c1-7-6-9(11)13-10(12-7)14-5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyRKFIILPVFSVSGO-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine

2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine (PubChem CID 115331181) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine
PubChem CID115331181
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCCC2CC2)n1
InChIInChI=1S/C10H15N3S/c1-7-6-9(11)13-10(12-7)14-5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyRKFIILPVFSVSGO-UHFFFAOYSA-N
XLogP2.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine (CID 115331181) is 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCCC2CC2)n1.
What is the InChIKey of 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine?
The InChIKey is RKFIILPVFSVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7-6-9(11)13-10(12-7)14-5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine?
2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine has a molecular weight of 209.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 115331181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).