N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

C11H19BrN4 — CID 66342316

IUPACN-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ncncc1Br
InChIInChI=1S/C11H19BrN4/c1-3-16(4-2)7-5-6-14-11-10(12)8-13-9-15-11/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyPTXKBQRQBWQALO-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.38
Rot. Bonds7

About N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 66342316) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID66342316
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC NameN-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ncncc1Br
InChIInChI=1S/C11H19BrN4/c1-3-16(4-2)7-5-6-14-11-10(12)8-13-9-15-11/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyPTXKBQRQBWQALO-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 66342800
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine
CID 103779960
5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine
CID 66340987
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
CID 115486607
5-[(5-bromopyrimidin-4-yl)amino]pentanamide
CID 103915031
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294
5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
CID 103766959
5-bromo-N-[3-(2-chloroethoxy)propyl]pyrimidin-4-amine
CID 106306461
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932
2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
CID 66340107

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 66342316) is N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1ncncc1Br.
What is the InChIKey of N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is PTXKBQRQBWQALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-3-16(4-2)7-5-6-14-11-10(12)8-13-9-15-11/h8-9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 66342316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).