2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine

C10H14N4S — CID 15937908

IUPAC2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine
SMILESCC(C)SCC1=NCc2nccnc2N1
InChIInChI=1S/C10H14N4S/c1-7(2)15-6-9-13-5-8-10(14-9)12-4-3-11-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyOKTAENSIZYZCOD-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.94
Rot. Bonds3

About 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine

2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine (PubChem CID 15937908) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine.

Molecular Properties

Compound Name2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine
PubChem CID15937908
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine
SMILESCC(C)SCC1=NCc2nccnc2N1
InChIInChI=1S/C10H14N4S/c1-7(2)15-6-9-13-5-8-10(14-9)12-4-3-11-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyOKTAENSIZYZCOD-UHFFFAOYSA-N
XLogP1.94
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine?
The IUPAC name of 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine (CID 15937908) is 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine.
What is the SMILES notation for 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine?
The canonical SMILES for 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine is CC(C)SCC1=NCc2nccnc2N1.
What is the InChIKey of 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine?
The InChIKey is OKTAENSIZYZCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7(2)15-6-9-13-5-8-10(14-9)12-4-3-11-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine?
2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine has a molecular weight of 222.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfanylmethyl)-1,4-dihydropteridine is sourced from PubChem (CID 15937908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).