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

C13H21N3O2 — CID 103241434

IUPAC2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-10(2)13-14-11(17)9-12(15-13)18-8-7-16-5-3-4-6-16/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyZHDZQKNDUPDJJP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.37
Rot. Bonds5

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

2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 103241434) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
PubChem CID103241434
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-10(2)13-14-11(17)9-12(15-13)18-8-7-16-5-3-4-6-16/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyZHDZQKNDUPDJJP-UHFFFAOYSA-N
XLogP1.37
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241378
4-[2-(dimethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241381
4-[2-(dimethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241382
4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241384
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241410
2-cyclopropyl-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241413

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (CID 103241434) is 2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is CC(C)c1nc(OCCN2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is ZHDZQKNDUPDJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)13-14-11(17)9-12(15-13)18-8-7-16-5-3-4-6-16/h9-10H,3-8H2,1-2H3,(H,14,15,17).
What are the key properties of 2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).