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

C9H14N4O2 — CID 2738035

IUPAC1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C9H14N4O2/c1-11-4-6-7(10-5-11)12(2)9(15)13(3)8(6)14/h10H,4-5H2,1-3H3
InChIKeyYLKLVAKFSMXHBG-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.10
Rot. Bonds

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

1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 2738035) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID2738035
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C9H14N4O2/c1-11-4-6-7(10-5-11)12(2)9(15)13(3)8(6)14/h10H,4-5H2,1-3H3
InChIKeyYLKLVAKFSMXHBG-UHFFFAOYSA-N
XLogP-1.10
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 2738035) is 1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is CN1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is YLKLVAKFSMXHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-11-4-6-7(10-5-11)12(2)9(15)13(3)8(6)14/h10H,4-5H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 210.24 g/mol, XLogP of -1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2738035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).