4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 103241410

IUPAC4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCC2CCCN2C)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-15-12(18)9-13(16-14)19-8-6-11-5-4-7-17(11)3/h9-11H,4-8H2,1-3H3,(H,15,16,18)
InChIKeyUYPJDBSBHBRCPA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds5

About 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241410) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241410
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCC2CCCN2C)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-15-12(18)9-13(16-14)19-8-6-11-5-4-7-17(11)3/h9-11H,4-8H2,1-3H3,(H,15,16,18)
InChIKeyUYPJDBSBHBRCPA-UHFFFAOYSA-N
XLogP1.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241402
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241408
2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241434
2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241697
2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241700
4-[(1-methylpiperidin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241704
2-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 113604862
2-ethyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604865
4-(3-aminocyclopentyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604898
2-propan-2-yl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113634875
2-ethyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113634888
2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 113792728

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241410) is 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCCC2CCCN2C)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UYPJDBSBHBRCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)14-15-12(18)9-13(16-14)19-8-6-11-5-4-7-17(11)3/h9-11H,4-8H2,1-3H3,(H,15,16,18).
What are the key properties of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).