4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one

C10H13N3O3 — CID 136656594

IUPAC4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCOC2=O)[nH]c(=O)c1C
InChIInChI=1S/C10H13N3O3/c1-5-6(2)11-10(13-8(5)14)12-7-3-4-16-9(7)15/h7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyPLMNISQWNBDIOM-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.11
Rot. Bonds2

About 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one

4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136656594) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136656594
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCOC2=O)[nH]c(=O)c1C
InChIInChI=1S/C10H13N3O3/c1-5-6(2)11-10(13-8(5)14)12-7-3-4-16-9(7)15/h7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyPLMNISQWNBDIOM-UHFFFAOYSA-N
XLogP0.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136656594) is 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2CCOC2=O)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is PLMNISQWNBDIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5-6(2)11-10(13-8(5)14)12-7-3-4-16-9(7)15/h7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136656594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).