3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one

C7H10BrN3O2 — CID 66310178

IUPAC3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one
SMILESNCC(O)Cn1cncc(Br)c1=O
InChIInChI=1S/C7H10BrN3O2/c8-6-2-10-4-11(7(6)13)3-5(12)1-9/h2,4-5,12H,1,3,9H2
InChIKeyKPJDWINNIQWSHK-UHFFFAOYSA-N
MW248.08 g/mol
LogP-0.67
Rot. Bonds3

About 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one

3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one (PubChem CID 66310178) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one
PubChem CID66310178
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one
SMILESNCC(O)Cn1cncc(Br)c1=O
InChIInChI=1S/C7H10BrN3O2/c8-6-2-10-4-11(7(6)13)3-5(12)1-9/h2,4-5,12H,1,3,9H2
InChIKeyKPJDWINNIQWSHK-UHFFFAOYSA-N
XLogP-0.67
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one?
The IUPAC name of 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one (CID 66310178) is 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one.
What is the SMILES notation for 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one?
The canonical SMILES for 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one is NCC(O)Cn1cncc(Br)c1=O.
What is the InChIKey of 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one?
The InChIKey is KPJDWINNIQWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c8-6-2-10-4-11(7(6)13)3-5(12)1-9/h2,4-5,12H,1,3,9H2.
What are the key properties of 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one?
3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one has a molecular weight of 248.08 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxypropyl)-5-bromopyrimidin-4-one is sourced from PubChem (CID 66310178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).