4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one

C9H10N4O — CID 137146081

IUPAC4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCC(C)c1ncnc2nc[nH]c(=O)c12
InChIInChI=1S/C9H10N4O/c1-5(2)7-6-8(11-3-10-7)12-4-13-9(6)14/h3-5H,1-2H3,(H,10,11,12,13,14)
InChIKeyGLNNLGONDZZNDW-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.84
Rot. Bonds1

About 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one

4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one (PubChem CID 137146081) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one
PubChem CID137146081
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCC(C)c1ncnc2nc[nH]c(=O)c12
InChIInChI=1S/C9H10N4O/c1-5(2)7-6-8(11-3-10-7)12-4-13-9(6)14/h3-5H,1-2H3,(H,10,11,12,13,14)
InChIKeyGLNNLGONDZZNDW-UHFFFAOYSA-N
XLogP0.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one (CID 137146081) is 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one is CC(C)c1ncnc2nc[nH]c(=O)c12.
What is the InChIKey of 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is GLNNLGONDZZNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5(2)7-6-8(11-3-10-7)12-4-13-9(6)14/h3-5H,1-2H3,(H,10,11,12,13,14).
What are the key properties of 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one?
4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 190.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 137146081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).