1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione

C9H12N4O2 — CID 90275239

IUPAC1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione
SMILESCC(C)N1C(=O)NC(=O)C2N=CC=NC21
InChIInChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-3-4-11-7)8(14)12-9(13)15/h3-7H,1-2H3,(H,12,14,15)
InChIKeyBQWQHZPMXGVZGW-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.20
Rot. Bonds1

About 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione

1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione (PubChem CID 90275239) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione.

Molecular Properties

Compound Name1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione
PubChem CID90275239
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione
SMILESCC(C)N1C(=O)NC(=O)C2N=CC=NC21
InChIInChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-3-4-11-7)8(14)12-9(13)15/h3-7H,1-2H3,(H,12,14,15)
InChIKeyBQWQHZPMXGVZGW-UHFFFAOYSA-N
XLogP-0.20
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione?
The IUPAC name of 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione (CID 90275239) is 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione.
What is the SMILES notation for 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione?
The canonical SMILES for 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione is CC(C)N1C(=O)NC(=O)C2N=CC=NC21.
What is the InChIKey of 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione?
The InChIKey is BQWQHZPMXGVZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5(2)13-7-6(10-3-4-11-7)8(14)12-9(13)15/h3-7H,1-2H3,(H,12,14,15).
What are the key properties of 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione?
1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4a,8a-dihydropteridine-2,4-dione is sourced from PubChem (CID 90275239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).