N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine

C12H15N5S — CID 103060079

IUPACN-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine
SMILESCCNc1cnc(CSc2nccc(C)n2)cn1
InChIInChI=1S/C12H15N5S/c1-3-13-11-7-15-10(6-16-11)8-18-12-14-5-4-9(2)17-12/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyIYIUKBCKMBTZKN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.30
Rot. Bonds5

About N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine

N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine (PubChem CID 103060079) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine
PubChem CID103060079
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine
SMILESCCNc1cnc(CSc2nccc(C)n2)cn1
InChIInChI=1S/C12H15N5S/c1-3-13-11-7-15-10(6-16-11)8-18-12-14-5-4-9(2)17-12/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyIYIUKBCKMBTZKN-UHFFFAOYSA-N
XLogP2.30
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine (CID 103060079) is N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine is CCNc1cnc(CSc2nccc(C)n2)cn1.
What is the InChIKey of N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine?
The InChIKey is IYIUKBCKMBTZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-3-13-11-7-15-10(6-16-11)8-18-12-14-5-4-9(2)17-12/h4-7H,3,8H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine?
N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine has a molecular weight of 261.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine is sourced from PubChem (CID 103060079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).