5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

C11H20BrN5 — CID 80845628

IUPAC5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)CCCN(C)C)n1
InChIInChI=1S/C11H20BrN5/c1-13-11-14-8-9(12)10(15-11)17(4)7-5-6-16(2)3/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyDEABBVXGWKRYLZ-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.67
Rot. Bonds6

About 5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80845628) has the molecular formula C11H20BrN5 and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80845628
Molecular FormulaC11H20BrN5
Molecular Weight302.22 g/mol
Exact Mass301.09
IUPAC Name5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)CCCN(C)C)n1
InChIInChI=1S/C11H20BrN5/c1-13-11-14-8-9(12)10(15-11)17(4)7-5-6-16(2)3/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyDEABBVXGWKRYLZ-UHFFFAOYSA-N
XLogP1.67
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
CID 80776307
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870
5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80838183
5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine
CID 80895372
5-bromo-2-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80782012
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794306
5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80767185
4-N-[3-(dimethylamino)propyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845968
5-bromo-2-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80847667
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80808680
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80753514
5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846421

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80845628) is 5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ncc(Br)c(N(C)CCCN(C)C)n1.
What is the InChIKey of 5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is DEABBVXGWKRYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN5/c1-13-11-14-8-9(12)10(15-11)17(4)7-5-6-16(2)3/h8H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 302.22 g/mol, XLogP of 1.67, 6 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-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80845628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).