4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one

C8H13BrN4O — CID 136972460

IUPAC4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCN(CCCN)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H13BrN4O/c1-13(4-2-3-10)7-6(9)8(14)12-5-11-7/h5H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyGQOJSSGRMKEJSD-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.32
Rot. Bonds4

About 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one

4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136972460) has the molecular formula C8H13BrN4O and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
PubChem CID136972460
Molecular FormulaC8H13BrN4O
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCN(CCCN)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H13BrN4O/c1-13(4-2-3-10)7-6(9)8(14)12-5-11-7/h5H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyGQOJSSGRMKEJSD-UHFFFAOYSA-N
XLogP0.32
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957802
4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972544
4-[bis(2-aminoethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 137008125
5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one
CID 136989726
4-[3-aminopropyl(cycloheptyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972588
3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
CID 114570606
4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136993915
5-bromo-4-[(4-ethylphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136970837
4-(3-aminopropoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586369
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
4-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009559

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one (CID 136972460) is 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one is CN(CCCN)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is GQOJSSGRMKEJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O/c1-13(4-2-3-10)7-6(9)8(14)12-5-11-7/h5H,2-4,10H2,1H3,(H,11,12,14).
What are the key properties of 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one?
4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 261.12 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136972460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).