1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine

C12H14N4S — CID 83123424

IUPAC1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine
SMILESCc1ccnc(Sc2ccc(C(C)N)nc2)n1
InChIInChI=1S/C12H14N4S/c1-8-5-6-14-12(16-8)17-10-3-4-11(9(2)13)15-7-10/h3-7,9H,13H2,1-2H3
InChIKeySYYPAVNCAPLZRH-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.35
Rot. Bonds3

About 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine

1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine (PubChem CID 83123424) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine
PubChem CID83123424
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine
SMILESCc1ccnc(Sc2ccc(C(C)N)nc2)n1
InChIInChI=1S/C12H14N4S/c1-8-5-6-14-12(16-8)17-10-3-4-11(9(2)13)15-7-10/h3-7,9H,13H2,1-2H3
InChIKeySYYPAVNCAPLZRH-UHFFFAOYSA-N
XLogP2.35
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine (CID 83123424) is 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine is Cc1ccnc(Sc2ccc(C(C)N)nc2)n1.
What is the InChIKey of 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine?
The InChIKey is SYYPAVNCAPLZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-5-6-14-12(16-8)17-10-3-4-11(9(2)13)15-7-10/h3-7,9H,13H2,1-2H3.
What are the key properties of 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine?
1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine has a molecular weight of 246.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).