2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

C12H14N4O3 — CID 3233097

IUPAC2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCOc1ncc2ncc(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C12H14N4O3/c1-18-12-14-5-9-11(15-12)16(10(17)6-13-9)7-8-3-2-4-19-8/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyVWMMLGZJAMJRKQ-MRVPVSSYSA-N
MW262.27 g/mol
LogP0.37
Rot. Bonds3

About 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3233097) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3233097
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCOc1ncc2ncc(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C12H14N4O3/c1-18-12-14-5-9-11(15-12)16(10(17)6-13-9)7-8-3-2-4-19-8/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyVWMMLGZJAMJRKQ-MRVPVSSYSA-N
XLogP0.37
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233794
2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233717
2-(4-methoxyphenoxy)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234609
2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3234630
6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233955
2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233418
2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3232699
16,17-dimethoxy-21-(oxolan-2-ylmethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 46897573
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7868999
6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine
CID 168751993
2-butoxy-8-methoxy-9-(oxan-2-yl)purine
CID 141220651
2-ethoxy-6-[[(2S)-oxolan-2-yl]methoxy]quinazoline
CID 91462378

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3233097) is 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is COc1ncc2ncc(=O)n(C[C@H]3CCCO3)c2n1.
What is the InChIKey of 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is VWMMLGZJAMJRKQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-12-14-5-9-11(15-12)16(10(17)6-13-9)7-8-3-2-4-19-8/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 262.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3233097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).