1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine

C14H14BrN3 — CID 116896707

IUPAC1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
SMILESCc1cc(-c2ccccc2Br)nc(C2(N)CC2)n1
InChIInChI=1S/C14H14BrN3/c1-9-8-12(10-4-2-3-5-11(10)15)18-13(17-9)14(16)6-7-14/h2-5,8H,6-7,16H2,1H3
InChIKeyZDLCNCFACLWGGZ-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.16
Rot. Bonds2

About 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine

1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine (PubChem CID 116896707) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
PubChem CID116896707
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
SMILESCc1cc(-c2ccccc2Br)nc(C2(N)CC2)n1
InChIInChI=1S/C14H14BrN3/c1-9-8-12(10-4-2-3-5-11(10)15)18-13(17-9)14(16)6-7-14/h2-5,8H,6-7,16H2,1H3
InChIKeyZDLCNCFACLWGGZ-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine (CID 116896707) is 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine is Cc1cc(-c2ccccc2Br)nc(C2(N)CC2)n1.
What is the InChIKey of 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
The InChIKey is ZDLCNCFACLWGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-9-8-12(10-4-2-3-5-11(10)15)18-13(17-9)14(16)6-7-14/h2-5,8H,6-7,16H2,1H3.
What are the key properties of 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine has a molecular weight of 304.19 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 116896707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).