2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C10H15N3O2 — CID 136627260

IUPAC2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCNC(C)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H15N3O2/c1-6(11-2)9-12-8-3-4-15-5-7(8)10(14)13-9/h6,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyGMDMBHVRDATUEM-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.12
Rot. Bonds2

About 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136627260) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136627260
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCNC(C)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H15N3O2/c1-6(11-2)9-12-8-3-4-15-5-7(8)10(14)13-9/h6,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyGMDMBHVRDATUEM-UHFFFAOYSA-N
XLogP0.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136627260) is 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CNC(C)c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is GMDMBHVRDATUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(11-2)9-12-8-3-4-15-5-7(8)10(14)13-9/h6,11H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136627260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).