6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione

C10H12N4O2 — CID 122543711

IUPAC6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione
SMILESCc1nc2cn(C(C)C)c(=O)nc2[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-5(2)14-4-7-8(13-10(14)16)12-9(15)6(3)11-7/h4-5H,1-3H3,(H,12,13,15,16)
InChIKeyBGEGDTDTGSAQOB-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.37
Rot. Bonds1

About 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione

6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione (PubChem CID 122543711) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione
PubChem CID122543711
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione
SMILESCc1nc2cn(C(C)C)c(=O)nc2[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-5(2)14-4-7-8(13-10(14)16)12-9(15)6(3)11-7/h4-5H,1-3H3,(H,12,13,15,16)
InChIKeyBGEGDTDTGSAQOB-UHFFFAOYSA-N
XLogP0.37
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione?
The IUPAC name of 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione (CID 122543711) is 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione.
What is the SMILES notation for 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione?
The canonical SMILES for 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione is Cc1nc2cn(C(C)C)c(=O)nc2[nH]c1=O.
What is the InChIKey of 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione?
The InChIKey is BGEGDTDTGSAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5(2)14-4-7-8(13-10(14)16)12-9(15)6(3)11-7/h4-5H,1-3H3,(H,12,13,15,16).
What are the key properties of 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione?
6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione has a molecular weight of 220.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-8H-pteridine-2,7-dione is sourced from PubChem (CID 122543711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).