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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).