2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C12H17N3O2 — CID 136941602

IUPAC2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CCCO2)nc2c1CCNC2
InChIInChI=1S/C12H17N3O2/c16-12-9-3-4-13-7-10(9)14-11(15-12)6-8-2-1-5-17-8/h8,13H,1-7H2,(H,14,15,16)
InChIKeyWIEJCHHWKCXXRS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.14
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136941602) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136941602
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CCCO2)nc2c1CCNC2
InChIInChI=1S/C12H17N3O2/c16-12-9-3-4-13-7-10(9)14-11(15-12)6-8-2-1-5-17-8/h8,13H,1-7H2,(H,14,15,16)
InChIKeyWIEJCHHWKCXXRS-UHFFFAOYSA-N
XLogP0.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(Oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483858
3-[2-(Oxolan-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483860
5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135996599
4-ethyl-5-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136067914
4-methyl-2-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136165805
2,4-dimethyl-5-[1-[2-(oxolan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136188614
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136209933
2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136745823
2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136780950
2,4-dimethyl-5-[1-[(2-methyloxan-4-yl)amino]ethyl]-1H-pyrimidin-6-one
CID 136905835
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941057
2-(Oxolan-2-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941372

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136941602) is 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(CC2CCCO2)nc2c1CCNC2.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WIEJCHHWKCXXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12-9-3-4-13-7-10(9)14-11(15-12)6-8-2-1-5-17-8/h8,13H,1-7H2,(H,14,15,16).
What are the key properties of 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).