2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

C10H10N4O2 — CID 106468630

IUPAC2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=C1C2COCCC2=NN1c1ccncn1
InChIInChI=1S/C10H10N4O2/c15-10-7-5-16-4-2-8(7)13-14(10)9-1-3-11-6-12-9/h1,3,6-7H,2,4-5H2
InChIKeyALODUYDKPCDZRB-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.22
Rot. Bonds1

About 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (PubChem CID 106468630) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
PubChem CID106468630
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=C1C2COCCC2=NN1c1ccncn1
InChIInChI=1S/C10H10N4O2/c15-10-7-5-16-4-2-8(7)13-14(10)9-1-3-11-6-12-9/h1,3,6-7H,2,4-5H2
InChIKeyALODUYDKPCDZRB-UHFFFAOYSA-N
XLogP0.22
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 106468632
4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822388
2-(2-hydroxycycloheptyl)-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 106468617
8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 67608519
azane;3-methyl-4-pyrimidin-4-ylmorpholine
CID 175987866
4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822670
5-tert-butyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822644
4-(3-aminopropyl)-5-propan-2-yl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822578
2-(iodomethyl)-4-pyrimidin-4-ylmorpholine
CID 166768372
3-(2-amino-4-pyridinyl)oxan-4-one
CID 172992611
4-[[(6S)-4-pyrimidin-4-yl-1,4-oxazepan-6-yl]methyl]-1H-pyrimidin-6-one
CID 137037830
methyl 3-fluoro-4-(3-oxo-4,5,7,8-tetrahydro-3aH-oxepino[4,5-c]pyrazol-2-yl)benzoate
CID 167780384

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (CID 106468630) is 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is O=C1C2COCCC2=NN1c1ccncn1.
What is the InChIKey of 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The InChIKey is ALODUYDKPCDZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10-7-5-16-4-2-8(7)13-14(10)9-1-3-11-6-12-9/h1,3,6-7H,2,4-5H2.
What are the key properties of 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one has a molecular weight of 218.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 106468630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).