N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine

C15H18BrN3 — CID 116893210

IUPACN-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine
SMILESCc1cc(-c2ccc(Br)cc2)nc(CNC(C)C)n1
InChIInChI=1S/C15H18BrN3/c1-10(2)17-9-15-18-11(3)8-14(19-15)12-4-6-13(16)7-5-12/h4-8,10,17H,9H2,1-3H3
InChIKeyWIOWOVKTOJELQR-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.71
Rot. Bonds4

About N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine

N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine (PubChem CID 116893210) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine
PubChem CID116893210
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine
SMILESCc1cc(-c2ccc(Br)cc2)nc(CNC(C)C)n1
InChIInChI=1S/C15H18BrN3/c1-10(2)17-9-15-18-11(3)8-14(19-15)12-4-6-13(16)7-5-12/h4-8,10,17H,9H2,1-3H3
InChIKeyWIOWOVKTOJELQR-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine (CID 116893210) is N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine is Cc1cc(-c2ccc(Br)cc2)nc(CNC(C)C)n1.
What is the InChIKey of N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine?
The InChIKey is WIOWOVKTOJELQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10(2)17-9-15-18-11(3)8-14(19-15)12-4-6-13(16)7-5-12/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine?
N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 116893210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).