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

C10H15N3O2 — CID 137060794

IUPAC2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCN[C@@H](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)/t6-/m0/s1
InChIKeyGMDMBHVRDATUEM-LURJTMIESA-N
MW209.25 g/mol
LogP0.12
Rot. Bonds2

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

2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 137060794) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID137060794
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCN[C@@H](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)/t6-/m0/s1
InChIKeyGMDMBHVRDATUEM-LURJTMIESA-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-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 137060794) is 2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CN[C@@H](C)c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is GMDMBHVRDATUEM-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of 2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-[(1S)-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-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137060794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).