4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one

C13H23N3O2 — CID 103241879

IUPAC4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCCN(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-9(2)16(10(3)4)6-7-18-13-8-12(17)14-11(5)15-13/h8-10H,6-7H2,1-5H3,(H,14,15,17)
InChIKeyGSJBKIGZYCYKIB-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.58
Rot. Bonds6

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

4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 103241879) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID103241879
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCCN(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-9(2)16(10(3)4)6-7-18-13-8-12(17)14-11(5)15-13/h8-10H,6-7H2,1-5H3,(H,14,15,17)
InChIKeyGSJBKIGZYCYKIB-UHFFFAOYSA-N
XLogP1.58
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
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-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391
2-cyclopropyl-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241413
4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241417
4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241418

Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one (CID 103241879) is 4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCCN(C(C)C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GSJBKIGZYCYKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)16(10(3)4)6-7-18-13-8-12(17)14-11(5)15-13/h8-10H,6-7H2,1-5H3,(H,14,15,17).
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one?
4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).