5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one

C7H10BrN3O2 — CID 136956077

IUPAC5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESCC(O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O2/c1-4(12)2-9-6-5(8)7(13)11-3-10-6/h3-4,12H,2H2,1H3,(H2,9,10,11,13)
InChIKeyYTGMPKTYVJQMBY-UHFFFAOYSA-N
MW248.08 g/mol
LogP0.33
Rot. Bonds3

About 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one

5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136956077) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID136956077
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESCC(O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O2/c1-4(12)2-9-6-5(8)7(13)11-3-10-6/h3-4,12H,2H2,1H3,(H2,9,10,11,13)
InChIKeyYTGMPKTYVJQMBY-UHFFFAOYSA-N
XLogP0.33
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790770
5-bromo-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790781
5-bromo-4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 135991652
5-Bromo-3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one
CID 66310176
5-Bromo-3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one
CID 66310392
5-bromo-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703838
5-bromo-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772475
5-bromo-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817759
5-bromo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820298
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849662
5-bromo-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852198
5-bromo-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one (CID 136956077) is 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one is CC(O)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is YTGMPKTYVJQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c1-4(12)2-9-6-5(8)7(13)11-3-10-6/h3-4,12H,2H2,1H3,(H2,9,10,11,13).
What are the key properties of 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 248.08 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).