5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 136970846

IUPAC5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCOCC1
InChIInChI=1S/C10H14BrN3O2/c1-14(7-2-4-16-5-3-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyGQIIPBOHOWXPOA-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.15
Rot. Bonds2

About 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one

5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136970846) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136970846
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCOCC1
InChIInChI=1S/C10H14BrN3O2/c1-14(7-2-4-16-5-3-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyGQIIPBOHOWXPOA-UHFFFAOYSA-N
XLogP1.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[methyl(oxan-4-yl)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-6-methyl-3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one
CID 66310266
5-bromo-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857181
5-bromo-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
CID 136956015
5-bromo-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 136956034
5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136956147
5-bromo-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
CID 136956675
5-bromo-4-(4-methoxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136956853
5-bromo-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136957027
5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957046
5-bromo-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one
CID 136957294
5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957565
5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957802

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one (CID 136970846) is 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1Br)C1CCOCC1.
What is the InChIKey of 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is GQIIPBOHOWXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-14(7-2-4-16-5-3-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136970846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).