5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one

C8H10BrN3O2 — CID 136956963

IUPAC5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCOC2)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyAZOLIGNEAAJUMR-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.73
Rot. Bonds2

About 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one

5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956963) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136956963
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCOC2)c1Br
InChIInChI=1S/C8H10BrN3O2/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyAZOLIGNEAAJUMR-UHFFFAOYSA-N
XLogP0.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706920
4-[3-(2-aminoethoxy)propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136730543
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
4-[(3-amino-4-methoxybutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136805762
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
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136870581
5-bromo-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870655
4-[(4-amino-1-methoxybutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136901097
5-bromo-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901113
5-bromo-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136955870
5-bromo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136955888

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one (CID 136956963) is 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCOC2)c1Br.
What is the InChIKey of 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is AZOLIGNEAAJUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-7(10-4-11-8(6)13)12-5-1-2-14-3-5/h4-5H,1-3H2,(H2,10,11,12,13).
What are the key properties of 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 260.09 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).