6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine

C9H10N4S2 — CID 78911837

IUPAC6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2cscn2)n1
InChIInChI=1S/C9H10N4S2/c1-6-2-8(10)13-9(12-6)15-4-7-3-14-5-11-7/h2-3,5H,4H2,1H3,(H2,10,12,13)
InChIKeyNRZIRGPPUWMSBW-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.12
Rot. Bonds3

About 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine

6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine (PubChem CID 78911837) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine
PubChem CID78911837
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2cscn2)n1
InChIInChI=1S/C9H10N4S2/c1-6-2-8(10)13-9(12-6)15-4-7-3-14-5-11-7/h2-3,5H,4H2,1H3,(H2,10,12,13)
InChIKeyNRZIRGPPUWMSBW-UHFFFAOYSA-N
XLogP2.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine (CID 78911837) is 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine is Cc1cc(N)nc(SCc2cscn2)n1.
What is the InChIKey of 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine?
The InChIKey is NRZIRGPPUWMSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-6-2-8(10)13-9(12-6)15-4-7-3-14-5-11-7/h2-3,5H,4H2,1H3,(H2,10,12,13).
What are the key properties of 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine?
6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine has a molecular weight of 238.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 78911837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).