(3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one

C12H15N3O2 — CID 95284786

IUPAC(3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one
SMILESCc1ncc2c(n1)CN([C@H]1CCOC1=O)CC2
InChIInChI=1S/C12H15N3O2/c1-8-13-6-9-2-4-15(7-10(9)14-8)11-3-5-17-12(11)16/h6,11H,2-5,7H2,1H3/t11-/m0/s1
InChIKeyNWXAMZSLKARSFL-NSHDSACASA-N
MW233.27 g/mol
LogP0.46
Rot. Bonds1

About (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one

(3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one (PubChem CID 95284786) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one
PubChem CID95284786
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one
SMILESCc1ncc2c(n1)CN([C@H]1CCOC1=O)CC2
InChIInChI=1S/C12H15N3O2/c1-8-13-6-9-2-4-15(7-10(9)14-8)11-3-5-17-12(11)16/h6,11H,2-5,7H2,1H3/t11-/m0/s1
InChIKeyNWXAMZSLKARSFL-NSHDSACASA-N
XLogP0.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one?
The IUPAC name of (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one (CID 95284786) is (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one.
What is the SMILES notation for (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one?
The canonical SMILES for (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one is Cc1ncc2c(n1)CN([C@H]1CCOC1=O)CC2.
What is the InChIKey of (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one?
The InChIKey is NWXAMZSLKARSFL-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-13-6-9-2-4-15(7-10(9)14-8)11-3-5-17-12(11)16/h6,11H,2-5,7H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one?
(3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one is sourced from PubChem (CID 95284786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).