5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one

C7H10BrN3O3 — CID 136956914

IUPAC5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC(O)CO)c1Br
InChIInChI=1S/C7H10BrN3O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2H2,(H2,9,10,11,14)
InChIKeyOWZUXARJKCLMPK-UHFFFAOYSA-N
MW264.08 g/mol
LogP-0.70
Rot. Bonds4

About 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one

5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136956914) has the molecular formula C7H10BrN3O3 and a molecular weight of 264.08 g/mol. Its IUPAC name is 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID136956914
Molecular FormulaC7H10BrN3O3
Molecular Weight264.08 g/mol
Exact Mass262.99
IUPAC Name5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC(O)CO)c1Br
InChIInChI=1S/C7H10BrN3O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2H2,(H2,9,10,11,14)
InChIKeyOWZUXARJKCLMPK-UHFFFAOYSA-N
XLogP-0.70
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730524
5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766523
5-bromo-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805767
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-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900938
5-bromo-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900947
5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136956026
5-bromo-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136956029
5-bromo-4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136956073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one (CID 136956914) is 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC(O)CO)c1Br.
What is the InChIKey of 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is OWZUXARJKCLMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O3/c8-5-6(9-1-4(13)2-12)10-3-11-7(5)14/h3-4,12-13H,1-2H2,(H2,9,10,11,14).
What are the key properties of 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 264.08 g/mol, XLogP of -0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).