2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

C9H13N3O2 — CID 114586323

IUPAC2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-11-8(13)4-9(12-6)14-7-2-3-10-5-7/h4,7,10H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyWVAAQZIPLRQSQZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.18
Rot. Bonds2

About 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (PubChem CID 114586323) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
PubChem CID114586323
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-11-8(13)4-9(12-6)14-7-2-3-10-5-7/h4,7,10H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyWVAAQZIPLRQSQZ-UHFFFAOYSA-N
XLogP-0.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (CID 114586323) is 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is Cc1nc(OC2CCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The InChIKey is WVAAQZIPLRQSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-11-8(13)4-9(12-6)14-7-2-3-10-5-7/h4,7,10H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).