5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

C11H17BrN4O2 — CID 136979764

IUPAC5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-15(2)4-7-3-8(17)5-16(7)10-9(12)11(18)14-6-13-10/h6-8,17H,3-5H2,1-2H3,(H,13,14,18)
InChIKeyYEQPKDVRLWUUPR-UHFFFAOYSA-N
MW317.19 g/mol
LogP0.03
Rot. Bonds3

About 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979764) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979764
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-15(2)4-7-3-8(17)5-16(7)10-9(12)11(18)14-6-13-10/h6-8,17H,3-5H2,1-2H3,(H,13,14,18)
InChIKeyYEQPKDVRLWUUPR-UHFFFAOYSA-N
XLogP0.03
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781030
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-(3-hydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957760
5-bromo-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136958071
4-[(2-amino-3-hydroxybutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136978331
5-bromo-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979584
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136979759
5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979761
5-chloro-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979762
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136979766
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136989604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136979764) is 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is CN(C)CC1CC(O)CN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is YEQPKDVRLWUUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-15(2)4-7-3-8(17)5-16(7)10-9(12)11(18)14-6-13-10/h6-8,17H,3-5H2,1-2H3,(H,13,14,18).
What are the key properties of 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 317.19 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).