3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

C9H9N3O2 — CID 14842379

IUPAC3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2cc(C)c(=O)[nH]c2nc1=O
InChIInChI=1S/C9H9N3O2/c1-5-3-12-4-6(2)8(14)11-9(12)10-7(5)13/h3-4H,1-2H3,(H,10,11,13,14)
InChIKeyDKPSVDZSCFJQGW-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.00
Rot. Bonds

About 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 14842379) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID14842379
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2cc(C)c(=O)[nH]c2nc1=O
InChIInChI=1S/C9H9N3O2/c1-5-3-12-4-6(2)8(14)11-9(12)10-7(5)13/h3-4H,1-2H3,(H,10,11,13,14)
InChIKeyDKPSVDZSCFJQGW-UHFFFAOYSA-N
XLogP-0.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 14842379) is 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is Cc1cn2cc(C)c(=O)[nH]c2nc1=O.
What is the InChIKey of 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is DKPSVDZSCFJQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-3-12-4-6(2)8(14)11-9(12)10-7(5)13/h3-4H,1-2H3,(H,10,11,13,14).
What are the key properties of 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 191.19 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 14842379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).