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

C11H16BrN3O2 — CID 136756220

IUPAC5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCCC1(CNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O2/c1-17-5-4-11(2-3-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyCBSMCNOKTWOMGN-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.76
Rot. Bonds6

About 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136756220) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136756220
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCCC1(CNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O2/c1-17-5-4-11(2-3-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyCBSMCNOKTWOMGN-UHFFFAOYSA-N
XLogP1.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-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

5-bromo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723597
5-bromo-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723606
5-amino-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756213
5-chloro-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756215
5-iodo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756217
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219
5-bromo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824073
5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852228
5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852237
5-bromo-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857351
5-bromo-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864258
5-bromo-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136951261

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136756220) is 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is COCCC1(CNc2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is CBSMCNOKTWOMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-17-5-4-11(2-3-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136756220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).