2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

C12H17N3O2 — CID 136941134

IUPAC2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNCC2)C1CC1
InChIInChI=1S/C12H17N3O2/c1-17-10(7-2-3-7)11-14-9-4-5-13-6-8(9)12(16)15-11/h7,10,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyPJYWFTCFEVOHIL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.51
Rot. Bonds3

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

2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941134) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941134
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNCC2)C1CC1
InChIInChI=1S/C12H17N3O2/c1-17-10(7-2-3-7)11-14-9-4-5-13-6-8(9)12(16)15-11/h7,10,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyPJYWFTCFEVOHIL-UHFFFAOYSA-N
XLogP0.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopropyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619793
2-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619794
2-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619795
2-Cyclopropyl-3-((tetrahydrofuran-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 102549249
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136118315
2,4-dimethyl-5-[1-[2-(3-methylbutoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136162432
5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136264255
4-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136293525
2-(4-ethylmorpholin-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136295856
4-methyl-5-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136295927
5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136824082
5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136835483

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941134) is 2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is COC(c1nc2c(c(=O)[nH]1)CNCC2)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PJYWFTCFEVOHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-10(7-2-3-7)11-14-9-4-5-13-6-8(9)12(16)15-11/h7,10,13H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).