5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one

C9H12BrN3O2 — CID 136957046

IUPAC5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H12BrN3O2/c1-5-6(2-3-15-5)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyYYEWRMZPFIUINK-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.12
Rot. Bonds2

About 5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957046) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957046
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H12BrN3O2/c1-5-6(2-3-15-5)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyYYEWRMZPFIUINK-UHFFFAOYSA-N
XLogP1.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696632
5-bromo-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696641
5-bromo-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785538
5-bromo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820298
5-bromo-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824076
5-bromo-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852198
5-bromo-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857181
5-bromo-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868272
5-bromo-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870655
5-bromo-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136900909
5-bromo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905793
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-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136957046) is 5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is CC1OCCC1Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is YYEWRMZPFIUINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-5-6(2-3-15-5)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 274.12 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).