3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione

C10H14N4O2 — CID 129079946

IUPAC3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)NC1Cn2cnc(=O)cc2C(=O)N1
InChIInChI=1S/C10H14N4O2/c1-6(2)12-8-4-14-5-11-9(15)3-7(14)10(16)13-8/h3,5-6,8,12H,4H2,1-2H3,(H,13,16)
InChIKeyAYRJHQBSSFZHMA-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.69
Rot. Bonds2

About 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione

3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 129079946) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID129079946
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)NC1Cn2cnc(=O)cc2C(=O)N1
InChIInChI=1S/C10H14N4O2/c1-6(2)12-8-4-14-5-11-9(15)3-7(14)10(16)13-8/h3,5-6,8,12H,4H2,1-2H3,(H,13,16)
InChIKeyAYRJHQBSSFZHMA-UHFFFAOYSA-N
XLogP-0.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione (CID 129079946) is 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione is CC(C)NC1Cn2cnc(=O)cc2C(=O)N1.
What is the InChIKey of 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is AYRJHQBSSFZHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6(2)12-8-4-14-5-11-9(15)3-7(14)10(16)13-8/h3,5-6,8,12H,4H2,1-2H3,(H,13,16).
What are the key properties of 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 222.25 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 129079946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).