2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one

C11H15N3O2 — CID 136758143

IUPAC2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCNC2)nc2c1CCOC2
InChIInChI=1S/C11H15N3O2/c15-11-8-2-4-16-6-9(8)13-10(14-11)7-1-3-12-5-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyQGJFPUHANAUKBX-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.08
Rot. Bonds1

About 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one

2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (PubChem CID 136758143) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
PubChem CID136758143
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCNC2)nc2c1CCOC2
InChIInChI=1S/C11H15N3O2/c15-11-8-2-4-16-6-9(8)13-10(14-11)7-1-3-12-5-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyQGJFPUHANAUKBX-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 172272495
2-Methyl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 172272534
2-pyrrolidin-3-yl-5,6,8,9-tetrahydro-3H-oxepino[4,5-d]pyrimidin-4-one
CID 136671945
2-(Pyrrolidin-3-ylmethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136671950
2-(Pyrrolidin-2-ylmethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136671951
2-Piperidin-4-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136671952
2-Piperidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136671953
2-(Methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136693529
2-(1-Aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136693530
2-(2-Aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136693535
2-(Oxolan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696221
2-[2-(Methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136699505

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (CID 136758143) is 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is O=c1[nH]c(C2CCNC2)nc2c1CCOC2.
What is the InChIKey of 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The InChIKey is QGJFPUHANAUKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11-8-2-4-16-6-9(8)13-10(14-11)7-1-3-12-5-7/h7,12H,1-6H2,(H,13,14,15).
What are the key properties of 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136758143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).