1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C11H18N4O2 — CID 945361

IUPAC1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC(C)N1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C11H18N4O2/c1-7(2)15-5-8-9(12-6-15)13(3)11(17)14(4)10(8)16/h7,12H,5-6H2,1-4H3
InChIKeyVZZQYMMATJQGPV-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.32
Rot. Bonds1

About 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 945361) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID945361
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC(C)N1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C11H18N4O2/c1-7(2)15-5-8-9(12-6-15)13(3)11(17)14(4)10(8)16/h7,12H,5-6H2,1-4H3
InChIKeyVZZQYMMATJQGPV-UHFFFAOYSA-N
XLogP-0.32
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 945361) is 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is CC(C)N1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is VZZQYMMATJQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)15-5-8-9(12-6-15)13(3)11(17)14(4)10(8)16/h7,12H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 945361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).