6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine

C10H12N4OS — CID 17438790

IUPAC6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2cc(C)on2)n1
InChIInChI=1S/C10H12N4OS/c1-6-3-9(11)13-10(12-6)16-5-8-4-7(2)15-14-8/h3-4H,5H2,1-2H3,(H2,11,12,13)
InChIKeyFAOJATPECYMFOR-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.96
Rot. Bonds3

About 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine

6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 17438790) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine
PubChem CID17438790
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2cc(C)on2)n1
InChIInChI=1S/C10H12N4OS/c1-6-3-9(11)13-10(12-6)16-5-8-4-7(2)15-14-8/h3-4H,5H2,1-2H3,(H2,11,12,13)
InChIKeyFAOJATPECYMFOR-UHFFFAOYSA-N
XLogP1.96
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine (CID 17438790) is 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine is Cc1cc(N)nc(SCc2cc(C)on2)n1.
What is the InChIKey of 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is FAOJATPECYMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-3-9(11)13-10(12-6)16-5-8-4-7(2)15-14-8/h3-4H,5H2,1-2H3,(H2,11,12,13).
What are the key properties of 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 236.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 17438790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).