N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine

C11H19BrN4 — CID 103779960

IUPACN-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNc1ncncc1Br
InChIInChI=1S/C11H19BrN4/c1-4-9(2)16(3)6-5-14-11-10(12)7-13-8-15-11/h7-9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyKVNCDPJHNQXECQ-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.38
Rot. Bonds6

About N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine

N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine (PubChem CID 103779960) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine
PubChem CID103779960
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC NameN-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNc1ncncc1Br
InChIInChI=1S/C11H19BrN4/c1-4-9(2)16(3)6-5-14-11-10(12)7-13-8-15-11/h7-9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyKVNCDPJHNQXECQ-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 66342800
N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 66342316
5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine
CID 66340987
5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 66341943
2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
CID 66340107
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
CID 103766959
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
CID 115486607
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 114133535
5-bromo-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816515
5-bromo-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764259
N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62642737

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine (CID 103779960) is N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine is CCC(C)N(C)CCNc1ncncc1Br.
What is the InChIKey of N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine?
The InChIKey is KVNCDPJHNQXECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-4-9(2)16(3)6-5-14-11-10(12)7-13-8-15-11/h7-9H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine?
N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.38, 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'-butan-2-yl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103779960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).