2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione

C10H14N4O2 — CID 129133631

IUPAC2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
SMILESCC1=NC2C(N=CC(=O)N2C(C)C)C(=O)N1
InChIInChI=1S/C10H14N4O2/c1-5(2)14-7(15)4-11-8-9(14)12-6(3)13-10(8)16/h4-5,8-9H,1-3H3,(H,12,13,16)
InChIKeyONZPWJNOFIYMCQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.45
Rot. Bonds1

About 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione

2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione (PubChem CID 129133631) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
PubChem CID129133631
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
SMILESCC1=NC2C(N=CC(=O)N2C(C)C)C(=O)N1
InChIInChI=1S/C10H14N4O2/c1-5(2)14-7(15)4-11-8-9(14)12-6(3)13-10(8)16/h4-5,8-9H,1-3H3,(H,12,13,16)
InChIKeyONZPWJNOFIYMCQ-UHFFFAOYSA-N
XLogP-0.45
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The IUPAC name of 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione (CID 129133631) is 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione.
What is the SMILES notation for 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The canonical SMILES for 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione is CC1=NC2C(N=CC(=O)N2C(C)C)C(=O)N1.
What is the InChIKey of 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The InChIKey is ONZPWJNOFIYMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-5(2)14-7(15)4-11-8-9(14)12-6(3)13-10(8)16/h4-5,8-9H,1-3H3,(H,12,13,16).
What are the key properties of 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione has a molecular weight of 222.25 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione is sourced from PubChem (CID 129133631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).