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

C11H17N3O2 — CID 136699505

IUPAC2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESCNC(C)Cc1nc2c(c(=O)[nH]1)CCOC2
InChIInChI=1S/C11H17N3O2/c1-7(12-2)5-10-13-9-6-16-4-3-8(9)11(15)14-10/h7,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYMPLWDYSZCKAKA-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.01
Rot. Bonds3

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

2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (PubChem CID 136699505) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
PubChem CID136699505
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESCNC(C)Cc1nc2c(c(=O)[nH]1)CCOC2
InChIInChI=1S/C11H17N3O2/c1-7(12-2)5-10-13-9-6-16-4-3-8(9)11(15)14-10/h7,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYMPLWDYSZCKAKA-UHFFFAOYSA-N
XLogP-0.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.01
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
5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135970649
2,4-dimethyl-5-[1-(oxan-3-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136127682
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (CID 136699505) is 2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is CNC(C)Cc1nc2c(c(=O)[nH]1)CCOC2.
What is the InChIKey of 2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The InChIKey is YMPLWDYSZCKAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(12-2)5-10-13-9-6-16-4-3-8(9)11(15)14-10/h7,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)propyl]-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136699505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).