N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C11H19BrN4 — CID 102995638

IUPACN'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1cc(Br)ncn1
InChIInChI=1S/C11H19BrN4/c1-4-16(7-5-6-15(2)3)11-8-10(12)13-9-14-11/h8-9H,4-7H2,1-3H3
InChIKeyUVBFSPMEXBICMN-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.02
Rot. Bonds6

About N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102995638) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102995638
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC NameN'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1cc(Br)ncn1
InChIInChI=1S/C11H19BrN4/c1-4-16(7-5-6-15(2)3)11-8-10(12)13-9-14-11/h8-9H,4-7H2,1-3H3
InChIKeyUVBFSPMEXBICMN-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

N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102976014
4-N,4-N-diethyl-6-N,6-N-dimethylpyrimidine-4,6-diamine
CID 22613295
6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344902
6-N,6-N-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112863456
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998858
N'-(6-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995604
4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 102998809
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102998866
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995636
N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine
CID 42872744
N-ethyl-6-fluoro-N-propylpyrimidin-4-amine
CID 115416478
N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 102997386

Frequently Asked Questions

What is the IUPAC name of N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102995638) is N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1cc(Br)ncn1.
What is the InChIKey of N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is UVBFSPMEXBICMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-4-16(7-5-6-15(2)3)11-8-10(12)13-9-14-11/h8-9H,4-7H2,1-3H3.
What are the key properties of N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-(6-bromopyrimidin-4-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'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102995638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).