5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one

C10H17BrN4O — CID 137008107

IUPAC5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one
SMILESCCCN(CCNC)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-3-5-15(6-4-12-2)9-8(11)10(16)14-7-13-9/h7,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyGJZYQFYUFDRYNW-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.97
Rot. Bonds6

About 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one

5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one (PubChem CID 137008107) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one
PubChem CID137008107
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one
SMILESCCCN(CCNC)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-3-5-15(6-4-12-2)9-8(11)10(16)14-7-13-9/h7,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyGJZYQFYUFDRYNW-UHFFFAOYSA-N
XLogP0.97
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[(2-aminophenyl)methyl-propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979290
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetate
CID 137007634
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one
CID 136989726
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956563
4-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136977712
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 136972929
4-[2-bromoethyl(butyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971985
4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one (CID 137008107) is 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one is CCCN(CCNC)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one?
The InChIKey is GJZYQFYUFDRYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-3-5-15(6-4-12-2)9-8(11)10(16)14-7-13-9/h7,12H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one?
5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one has a molecular weight of 289.18 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137008107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).