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

C10H17BrN4O — CID 136972544

IUPAC4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCCCN(CCCN)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-2-5-15(6-3-4-12)9-8(11)10(16)14-7-13-9/h7H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyRSPLDNVGYCYIRD-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.10
Rot. Bonds6

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

4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136972544) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
PubChem CID136972544
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCCCN(CCCN)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-2-5-15(6-3-4-12)9-8(11)10(16)14-7-13-9/h7H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyRSPLDNVGYCYIRD-UHFFFAOYSA-N
XLogP1.10
TPSA75.01 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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[bis(2-aminoethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 137008125
4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972460
5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one
CID 137008107
4-[(2-aminophenyl)methyl-propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979290
4-[2-bromoethyl(butyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971985
4-[3-aminopropyl(cycloheptyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972588
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
4-(3-aminopropoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586369
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetate
CID 137007634
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
4-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136977712
4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136993915

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one (CID 136972544) is 4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one is CCCN(CCCN)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is RSPLDNVGYCYIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-2-5-15(6-3-4-12)9-8(11)10(16)14-7-13-9/h7H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one?
4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 289.18 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136972544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).