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

C10H14N4O2S — CID 15937914

IUPAC2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine
SMILESCC(C)S(=O)(=O)CC1=NCc2nccnc2N1
InChIInChI=1S/C10H14N4O2S/c1-7(2)17(15,16)6-9-13-5-8-10(14-9)12-4-3-11-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyMEHMKAWBTPAHGM-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.62
Rot. Bonds3

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

2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine (PubChem CID 15937914) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine.

Molecular Properties

Compound Name2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine
PubChem CID15937914
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine
SMILESCC(C)S(=O)(=O)CC1=NCc2nccnc2N1
InChIInChI=1S/C10H14N4O2S/c1-7(2)17(15,16)6-9-13-5-8-10(14-9)12-4-3-11-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyMEHMKAWBTPAHGM-UHFFFAOYSA-N
XLogP0.62
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine?
The IUPAC name of 2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine (CID 15937914) is 2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine.
What is the SMILES notation for 2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine?
The canonical SMILES for 2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine is CC(C)S(=O)(=O)CC1=NCc2nccnc2N1.
What is the InChIKey of 2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine?
The InChIKey is MEHMKAWBTPAHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-7(2)17(15,16)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-ylsulfonylmethyl)-1,4-dihydropteridine?
2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine has a molecular weight of 254.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfonylmethyl)-1,4-dihydropteridine is sourced from PubChem (CID 15937914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).