3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C11H16N4O — CID 136748515

IUPAC3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1nc2c(C(C)C)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C11H16N4O/c1-5(2)7-8-9(15-14-7)11(16)13-10(12-8)6(3)4/h5-6H,1-4H3,(H,14,15)(H,12,13,16)
InChIKeyRFGIJHSIJYVEEO-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.89
Rot. Bonds2

About 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 136748515) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID136748515
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1nc2c(C(C)C)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C11H16N4O/c1-5(2)7-8-9(15-14-7)11(16)13-10(12-8)6(3)4/h5-6H,1-4H3,(H,14,15)(H,12,13,16)
InChIKeyRFGIJHSIJYVEEO-UHFFFAOYSA-N
XLogP1.89
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 136748515) is 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CC(C)c1nc2c(C(C)C)[nH]nc2c(=O)[nH]1.
What is the InChIKey of 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is RFGIJHSIJYVEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5(2)7-8-9(15-14-7)11(16)13-10(12-8)6(3)4/h5-6H,1-4H3,(H,14,15)(H,12,13,16).
What are the key properties of 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 220.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 136748515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).