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

C10H15BrN4O2 — CID 136956004

IUPAC5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCOCC2)c1Br
InChIInChI=1S/C10H15BrN4O2/c11-8-9(13-7-14-10(8)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6H2,(H2,12,13,14,16)
InChIKeySTRAMZMGLYXUGQ-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.28
Rot. Bonds4

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

5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136956004) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136956004
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCOCC2)c1Br
InChIInChI=1S/C10H15BrN4O2/c11-8-9(13-7-14-10(8)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6H2,(H2,12,13,14,16)
InChIKeySTRAMZMGLYXUGQ-UHFFFAOYSA-N
XLogP0.28
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-bromo-2-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 135629493
5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 135568309
5-amino-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 135575724
5-amino-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135786490
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-(bromomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783262
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 136783265
2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805714
5-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825656
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136870581
5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896843

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one (CID 136956004) is 5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCN2CCOCC2)c1Br.
What is the InChIKey of 5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is STRAMZMGLYXUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c11-8-9(13-7-14-10(8)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6H2,(H2,12,13,14,16).
What are the key properties of 5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 303.16 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).