5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine

C16H27BrN4 — CID 22236335

IUPAC5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine
SMILESCN(C)CCCC1CCC(N(C)c2ncc(Br)cn2)CC1
InChIInChI=1S/C16H27BrN4/c1-20(2)10-4-5-13-6-8-15(9-7-13)21(3)16-18-11-14(17)12-19-16/h11-13,15H,4-10H2,1-3H3
InChIKeyXBMSTNOTLZVMFO-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.58
Rot. Bonds6

About 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine

5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine (PubChem CID 22236335) has the molecular formula C16H27BrN4 and a molecular weight of 355.32 g/mol. Its IUPAC name is 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine
PubChem CID22236335
Molecular FormulaC16H27BrN4
Molecular Weight355.32 g/mol
Exact Mass354.14
IUPAC Name5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine
SMILESCN(C)CCCC1CCC(N(C)c2ncc(Br)cn2)CC1
InChIInChI=1S/C16H27BrN4/c1-20(2)10-4-5-13-6-8-15(9-7-13)21(3)16-18-11-14(17)12-19-16/h11-13,15H,4-10H2,1-3H3
InChIKeyXBMSTNOTLZVMFO-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine (CID 22236335) is 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine is CN(C)CCCC1CCC(N(C)c2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine?
The InChIKey is XBMSTNOTLZVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN4/c1-20(2)10-4-5-13-6-8-15(9-7-13)21(3)16-18-11-14(17)12-19-16/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine?
5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine has a molecular weight of 355.32 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 22236335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).