2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C12H14N4O2 — CID 135944799

IUPAC2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ncco1)CC2
InChIInChI=1S/C12H14N4O2/c1-8-14-10-2-4-16(6-9(10)12(17)15-8)7-11-13-3-5-18-11/h3,5H,2,4,6-7H2,1H3,(H,14,15,17)
InChIKeyOEFQYLICLCJZRH-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.62
Rot. Bonds2

About 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944799) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944799
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ncco1)CC2
InChIInChI=1S/C12H14N4O2/c1-8-14-10-2-4-16(6-9(10)12(17)15-8)7-11-13-3-5-18-11/h3,5H,2,4,6-7H2,1H3,(H,14,15,17)
InChIKeyOEFQYLICLCJZRH-UHFFFAOYSA-N
XLogP0.62
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944800
6-(1H-imidazol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861014
2-methyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918226
6-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944579
2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943280
2-methyl-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947512
6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862091
6-[(5-bromo-3-pyridinyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944639
6-[[5-(hydroxymethyl)furan-2-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860994
6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942741
2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861454
2-methyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944799) is 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1ncco1)CC2.
What is the InChIKey of 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OEFQYLICLCJZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-14-10-2-4-16(6-9(10)12(17)15-8)7-11-13-3-5-18-11/h3,5H,2,4,6-7H2,1H3,(H,14,15,17).
What are the key properties of 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 246.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).