4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

C10H13N5OS — CID 80812985

IUPAC4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCc2cc(C)on2)n1
InChIInChI=1S/C10H13N5OS/c1-6-3-7(15-16-6)5-12-9-4-8(11)13-10(14-9)17-2/h3-4H,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyIWCGGZLWXPLVTG-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.69
Rot. Bonds4

About 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80812985) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80812985
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCc2cc(C)on2)n1
InChIInChI=1S/C10H13N5OS/c1-6-3-7(15-16-6)5-12-9-4-8(11)13-10(14-9)17-2/h3-4H,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyIWCGGZLWXPLVTG-UHFFFAOYSA-N
XLogP1.69
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 80812985) is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(NCc2cc(C)on2)n1.
What is the InChIKey of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is IWCGGZLWXPLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-3-7(15-16-6)5-12-9-4-8(11)13-10(14-9)17-2/h3-4H,5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 251.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80812985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).