3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one

C12H14N6O — CID 136538263

IUPAC3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one
SMILESCn1ncc2c(N3CC(=O)N(C4CC4)C3)ncnc21
InChIInChI=1S/C12H14N6O/c1-16-11-9(4-15-16)12(14-6-13-11)17-5-10(19)18(7-17)8-2-3-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyFUVZDURBIVLBST-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.13
Rot. Bonds2

About 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one

3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one (PubChem CID 136538263) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one
PubChem CID136538263
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one
SMILESCn1ncc2c(N3CC(=O)N(C4CC4)C3)ncnc21
InChIInChI=1S/C12H14N6O/c1-16-11-9(4-15-16)12(14-6-13-11)17-5-10(19)18(7-17)8-2-3-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyFUVZDURBIVLBST-UHFFFAOYSA-N
XLogP0.13
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one?
The IUPAC name of 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one (CID 136538263) is 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one?
The canonical SMILES for 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one is Cn1ncc2c(N3CC(=O)N(C4CC4)C3)ncnc21.
What is the InChIKey of 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one?
The InChIKey is FUVZDURBIVLBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-16-11-9(4-15-16)12(14-6-13-11)17-5-10(19)18(7-17)8-2-3-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one?
3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one has a molecular weight of 258.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)imidazolidin-4-one is sourced from PubChem (CID 136538263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).