2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one

C11H17N3O2 — CID 103241429

IUPAC2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCN2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-9-12-10(15)8-11(13-9)16-7-6-14-4-2-3-5-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyNUPVZYFJUNNGTA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds4

About 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one

2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 103241429) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
PubChem CID103241429
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCN2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-9-12-10(15)8-11(13-9)16-7-6-14-4-2-3-5-14/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyNUPVZYFJUNNGTA-UHFFFAOYSA-N
XLogP0.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (CID 103241429) is 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is Cc1nc(OCCN2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is NUPVZYFJUNNGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-12-10(15)8-11(13-9)16-7-6-14-4-2-3-5-14/h8H,2-7H2,1H3,(H,12,13,15).
What are the key properties of 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).