3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C12H14N4O3 — CID 167932875

IUPAC3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1noc2ncn(CC3CCN(C)C3=O)c(=O)c12
InChIInChI=1S/C12H14N4O3/c1-7-9-10(19-14-7)13-6-16(12(9)18)5-8-3-4-15(2)11(8)17/h6,8H,3-5H2,1-2H3
InChIKeySOOITTNIDDWRKE-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.17
Rot. Bonds2

About 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 167932875) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID167932875
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1noc2ncn(CC3CCN(C)C3=O)c(=O)c12
InChIInChI=1S/C12H14N4O3/c1-7-9-10(19-14-7)13-6-16(12(9)18)5-8-3-4-15(2)11(8)17/h6,8H,3-5H2,1-2H3
InChIKeySOOITTNIDDWRKE-UHFFFAOYSA-N
XLogP0.17
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 167932875) is 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1noc2ncn(CC3CCN(C)C3=O)c(=O)c12.
What is the InChIKey of 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SOOITTNIDDWRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-9-10(19-14-7)13-6-16(12(9)18)5-8-3-4-15(2)11(8)17/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 262.27 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 167932875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).