2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one

C9H13N3O2 — CID 136693535

IUPAC2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESNCCc1nc2c(c(=O)[nH]1)CCOC2
InChIInChI=1S/C9H13N3O2/c10-3-1-8-11-7-5-14-4-2-6(7)9(13)12-8/h1-5,10H2,(H,11,12,13)
InChIKeyNGVDPUFJOYSHOE-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.66
Rot. Bonds2

About 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one

2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (PubChem CID 136693535) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
PubChem CID136693535
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESNCCc1nc2c(c(=O)[nH]1)CCOC2
InChIInChI=1S/C9H13N3O2/c10-3-1-8-11-7-5-14-4-2-6(7)9(13)12-8/h1-5,10H2,(H,11,12,13)
InChIKeyNGVDPUFJOYSHOE-UHFFFAOYSA-N
XLogP-0.66
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.66
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-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-Acetyl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136693521
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)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136693534
2-(2-Hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136693545
2-(1-Aminopropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696501

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (CID 136693535) is 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is NCCc1nc2c(c(=O)[nH]1)CCOC2.
What is the InChIKey of 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The InChIKey is NGVDPUFJOYSHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-3-1-8-11-7-5-14-4-2-6(7)9(13)12-8/h1-5,10H2,(H,11,12,13).
What are the key properties of 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136693535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).