5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C9H14BrN3O2 — CID 136957240

IUPAC5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOC(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-9(2,15-3)4-11-7-6(10)8(14)13-5-12-7/h5H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyLAVWDLWIBPIWPN-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.37
Rot. Bonds4

About 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957240) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136957240
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOC(C)(C)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-9(2,15-3)4-11-7-6(10)8(14)13-5-12-7/h5H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyLAVWDLWIBPIWPN-UHFFFAOYSA-N
XLogP1.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-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-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586312
5-bromo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696651
4-[3-(2-aminoethoxy)propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136730543
5-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792833
5-bromo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820298
5-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825656
5-bromo-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852198
5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896843
5-bromo-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954503
5-bromo-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136955870
5-bromo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136955888
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136955940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136957240) is 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is COC(C)(C)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LAVWDLWIBPIWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-9(2,15-3)4-11-7-6(10)8(14)13-5-12-7/h5H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 276.13 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).