5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine

C11H19BrN4 — CID 80822744

IUPAC5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
SMILESCCCCC(C)Nc1nc(NC)ncc1Br
InChIInChI=1S/C11H19BrN4/c1-4-5-6-8(2)15-10-9(12)7-14-11(13-3)16-10/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyYUOYOBJKTIZMHA-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.27
Rot. Bonds6

About 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80822744) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
PubChem CID80822744
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC Name5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
SMILESCCCCC(C)Nc1nc(NC)ncc1Br
InChIInChI=1S/C11H19BrN4/c1-4-5-6-8(2)15-10-9(12)7-14-11(13-3)16-10/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyYUOYOBJKTIZMHA-UHFFFAOYSA-N
XLogP3.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80846989
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80770925
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine
CID 106026014
5-bromo-2-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 131140618
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine (CID 80822744) is 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine is CCCCC(C)Nc1nc(NC)ncc1Br.
What is the InChIKey of 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is YUOYOBJKTIZMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-4-5-6-8(2)15-10-9(12)7-14-11(13-3)16-10/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 287.20 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80822744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).