5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C10H14BrN3O — CID 136852228

IUPAC5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C10H14BrN3O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyTWNAGQBCMVBIIQ-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.13
Rot. Bonds4

About 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852228) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852228
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C10H14BrN3O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyTWNAGQBCMVBIIQ-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-[(1-ethylcyclopropyl)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-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723586
5-bromo-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750468
5-bromo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756220
5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768847
5-bromo-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794538
5-bromo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824073
5-bromo-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136852207
5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852218
5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852224
4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136852225
4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852227
5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852228) is 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCC1(CNc2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is TWNAGQBCMVBIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 272.15 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).