5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine

C9H15BrN4 — CID 80776307

IUPAC5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1nc(NC)ncc1Br
InChIInChI=1S/C9H15BrN4/c1-4-5-14(3)8-7(10)6-12-9(11-2)13-8/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyNAGBEEYHSUJQOO-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.13
Rot. Bonds4

About 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine

5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80776307) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID80776307
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1nc(NC)ncc1Br
InChIInChI=1S/C9H15BrN4/c1-4-5-14(3)8-7(10)6-12-9(11-2)13-8/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyNAGBEEYHSUJQOO-UHFFFAOYSA-N
XLogP2.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine
CID 80895372
5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845628
5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80838183
5-bromo-2-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80782012
5-bromo-4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 81068013
5-bromo-2-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80847667
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80753514
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80808680
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
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80852163

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine (CID 80776307) is 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine is CCCN(C)c1nc(NC)ncc1Br.
What is the InChIKey of 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is NAGBEEYHSUJQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-4-5-14(3)8-7(10)6-12-9(11-2)13-8/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine?
5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 259.15 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80776307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).