N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C11H19BrN4 — CID 102976014

IUPACN'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ncc(Br)cn1
InChIInChI=1S/C11H19BrN4/c1-4-16(7-5-6-15(2)3)11-13-8-10(12)9-14-11/h8-9H,4-7H2,1-3H3
InChIKeyBLCCDBCDUDUQSQ-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.02
Rot. Bonds6

About N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102976014) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102976014
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC NameN'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ncc(Br)cn1
InChIInChI=1S/C11H19BrN4/c1-4-16(7-5-6-15(2)3)11-13-8-10(12)9-14-11/h8-9H,4-7H2,1-3H3
InChIKeyBLCCDBCDUDUQSQ-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564
5-bromo-N-butyl-N-(2-chloroethyl)pyrimidin-2-amine
CID 63873646
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine
CID 63873425
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997398
N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995638
N'-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997407
5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine
CID 63873651
2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine
CID 105487467
3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol
CID 104843994
5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine
CID 22236335
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102976014) is N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1ncc(Br)cn1.
What is the InChIKey of N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is BLCCDBCDUDUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-4-16(7-5-6-15(2)3)11-13-8-10(12)9-14-11/h8-9H,4-7H2,1-3H3.
What are the key properties of N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102976014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).