4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136756219

IUPAC4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCCC1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-16-5-4-11(2-3-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyJTBVUSYUPMPDDG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.00
Rot. Bonds6

About 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136756219) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136756219
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCCC1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-16-5-4-11(2-3-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyJTBVUSYUPMPDDG-UHFFFAOYSA-N
XLogP1.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-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-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723605
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136739000
5-amino-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756213
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214
5-chloro-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756215
2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756216
5-iodo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756217
5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756220
4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824085
4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852227
4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852236

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136756219) is 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is COCCC1(CNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is JTBVUSYUPMPDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-5-4-11(2-3-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136756219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).