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

C10H15N3O2 — CID 136866597

IUPAC2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESCNCCc1nc2c(c(=O)[nH]1)CCOC2
InChIInChI=1S/C10H15N3O2/c1-11-4-2-9-12-8-6-15-5-3-7(8)10(14)13-9/h11H,2-6H2,1H3,(H,12,13,14)
InChIKeyBARHADBNGQJEFF-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.40
Rot. Bonds3

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

2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (PubChem CID 136866597) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
PubChem CID136866597
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESCNCCc1nc2c(c(=O)[nH]1)CCOC2
InChIInChI=1S/C10H15N3O2/c1-11-4-2-9-12-8-6-15-5-3-7(8)10(14)13-9/h11H,2-6H2,1H3,(H,12,13,14)
InChIKeyBARHADBNGQJEFF-UHFFFAOYSA-N
XLogP-0.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.40
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-[2-(methylamino)propyl]-5,6,8,9-tetrahydro-3H-oxepino[4,5-d]pyrimidin-4-one
CID 136671983
2-[3-(methylamino)propyl]-5,6,8,9-tetrahydro-3H-oxepino[4,5-d]pyrimidin-4-one
CID 136671984
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (CID 136866597) is 2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is CNCCc1nc2c(c(=O)[nH]1)CCOC2.
What is the InChIKey of 2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The InChIKey is BARHADBNGQJEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-11-4-2-9-12-8-6-15-5-3-7(8)10(14)13-9/h11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136866597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).