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

C13H21N3O2 — CID 102741502

IUPAC4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-14-11(17)8-12(15-13)18-7-6-16(3)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyLMSBGUDNMGLULL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.37
Rot. Bonds6

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

4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 102741502) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID102741502
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-14-11(17)8-12(15-13)18-7-6-16(3)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyLMSBGUDNMGLULL-UHFFFAOYSA-N
XLogP1.37
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-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

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]-1H-pyrimidin-6-one
CID 102741500
2-cyclopropyl-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240673
4-(cyclopropylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240780
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
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
2-cyclopropyl-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241413

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 102741502) is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCCN(C)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LMSBGUDNMGLULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)13-14-11(17)8-12(15-13)18-7-6-16(3)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 102741502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).