2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C11H15N3O2 — CID 136696492

IUPAC2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCN2)nc2c1COCC2
InChIInChI=1S/C11H15N3O2/c15-11-7-6-16-5-3-8(7)13-10(14-11)9-2-1-4-12-9/h9,12H,1-6H2,(H,13,14,15)
InChIKeyYOQYKAQZNHEJSG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.27
Rot. Bonds1

About 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696492) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696492
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCN2)nc2c1COCC2
InChIInChI=1S/C11H15N3O2/c15-11-7-6-16-5-3-8(7)13-10(14-11)9-2-1-4-12-9/h9,12H,1-6H2,(H,13,14,15)
InChIKeyYOQYKAQZNHEJSG-UHFFFAOYSA-N
XLogP0.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-fluoroethylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627235
2-((2,2-difluoroethylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627267
2-((2,2,2-trifluoroethylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627274
2-[(2,2-Difluoroethylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one;hydrochloride
CID 136935456
2-(Aminomethyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741894
2-((isobutylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244071
2-((propylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244072
2-(Methylaminomethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136244073
2-[(Cyclopropylmethyl-amino)-methyl]-3,5,7,8-tetrahydro-pyrano[4,3-d]pyrimidin-4-one
CID 136244074
2-((neopentylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627190
N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136627212
[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-ylmethyl)-amino]-acetonitrile
CID 136627219

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696492) is 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CCCN2)nc2c1COCC2.
What is the InChIKey of 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is YOQYKAQZNHEJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11-7-6-16-5-3-8(7)13-10(14-11)9-2-1-4-12-9/h9,12H,1-6H2,(H,13,14,15).
What are the key properties of 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).