5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine

C13H24BrN5 — CID 102998924

IUPAC5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
SMILESCCN(CC)CCCN(CC)c1nc(N)ncc1Br
InChIInChI=1S/C13H24BrN5/c1-4-18(5-2)8-7-9-19(6-3)12-11(14)10-16-13(15)17-12/h10H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyNEVPMMTYDNRURE-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.38
Rot. Bonds8

About 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine

5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 102998924) has the molecular formula C13H24BrN5 and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
PubChem CID102998924
Molecular FormulaC13H24BrN5
Molecular Weight330.27 g/mol
Exact Mass329.12
IUPAC Name5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
SMILESCCN(CC)CCCN(CC)c1nc(N)ncc1Br
InChIInChI=1S/C13H24BrN5/c1-4-18(5-2)8-7-9-19(6-3)12-11(14)10-16-13(15)17-12/h10H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyNEVPMMTYDNRURE-UHFFFAOYSA-N
XLogP2.38
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 102998979
2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 80790255
5-bromo-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80814938
2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 80806174
5-amino-2-[3-(diethylamino)propyl-ethylamino]pyridine-3-carbonitrile
CID 102991206
4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4,6-triamine
CID 102998945
2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791211
2-N-[3-(diethylamino)propyl]-2-N-ethylpyrazine-2,6-diamine
CID 102998767
N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991359
5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752206
2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 102998962
5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine
CID 79076460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine (CID 102998924) is 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine is CCN(CC)CCCN(CC)c1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is NEVPMMTYDNRURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN5/c1-4-18(5-2)8-7-9-19(6-3)12-11(14)10-16-13(15)17-12/h10H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine?
5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 330.27 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 102998924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).