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

C9H13N3O2 — CID 136693529

IUPAC2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESCNCc1nc2c(c(=O)[nH]1)CCOC2
InChIInChI=1S/C9H13N3O2/c1-10-4-8-11-7-5-14-3-2-6(7)9(13)12-8/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyLCFAFOSAKUJMNL-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.44
Rot. Bonds2

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

2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (PubChem CID 136693529) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
PubChem CID136693529
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESCNCc1nc2c(c(=O)[nH]1)CCOC2
InChIInChI=1S/C9H13N3O2/c1-10-4-8-11-7-5-14-3-2-6(7)9(13)12-8/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyLCFAFOSAKUJMNL-UHFFFAOYSA-N
XLogP-0.44
TPSA67.01 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 ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-fluoroethylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627235
2-(Aminomethyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741894
2-((isobutylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244071
2-((propylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244072
2-(Methylaminomethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136244073
2-((neopentylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627190
N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136627212
(S)-2-((sec-butylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627225
2-[(Butan-2-ylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627226
(S)-2-((2-methylbutylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627230
2-[(2-Methylbutylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627231
2-[[methyl-[(2S)-oxolan-2-yl]amino]methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627233

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (CID 136693529) is 2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is CNCc1nc2c(c(=O)[nH]1)CCOC2.
What is the InChIKey of 2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The InChIKey is LCFAFOSAKUJMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-10-4-8-11-7-5-14-3-2-6(7)9(13)12-8/h10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136693529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).