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

C10H17BrN4 — CID 66342800

IUPACN-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1ncncc1Br
InChIInChI=1S/C10H17BrN4/c1-15(2)6-4-3-5-13-10-9(11)7-12-8-14-10/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyCSCUQIGKCPWDRG-UHFFFAOYSA-N
MW273.18 g/mol
LogP1.99
Rot. Bonds6

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

N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 66342800) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID66342800
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC NameN-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1ncncc1Br
InChIInChI=1S/C10H17BrN4/c1-15(2)6-4-3-5-13-10-9(11)7-12-8-14-10/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyCSCUQIGKCPWDRG-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 51.99
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'-diethylpropane-1,3-diamine
CID 66342316
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
CID 115486607
N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine
CID 103779960
5-[(5-bromopyrimidin-4-yl)amino]pentanamide
CID 103915031
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
N-(5-bromo-3-methyl-2-pyridinyl)-N',N'-dimethylbutane-1,4-diamine
CID 79717787
5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
CID 103766959
5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine
CID 66340987
5-bromo-N-[3-(2-chloroethoxy)propyl]pyrimidin-4-amine
CID 106306461
2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
CID 66340107
4-chloro-6-[4-(dimethylamino)butylamino]pyrimidine-5-carbaldehyde
CID 66366743
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (CID 66342800) is N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine is CN(C)CCCCNc1ncncc1Br.
What is the InChIKey of N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is CSCUQIGKCPWDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-15(2)6-4-3-5-13-10-9(11)7-12-8-14-10/h7-8H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 273.18 g/mol, XLogP of 1.99, 6 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'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 66342800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).