6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine

C17H22BrN5 — CID 171446272

IUPAC6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CCN[C@H](c3ccccc3Br)C2)n1
InChIInChI=1S/C17H22BrN5/c1-11(2)17-21-15(19)9-16(22-17)23-8-7-20-14(10-23)12-5-3-4-6-13(12)18/h3-6,9,11,14,20H,7-8,10H2,1-2H3,(H2,19,21,22)/t14-/m0/s1
InChIKeyDTIYTNCMSALOMU-AWEZNQCLSA-N
MW376.30 g/mol
LogP3.10
Rot. Bonds3

About 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine

6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 171446272) has the molecular formula C17H22BrN5 and a molecular weight of 376.30 g/mol. Its IUPAC name is 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID171446272
Molecular FormulaC17H22BrN5
Molecular Weight376.30 g/mol
Exact Mass375.11
IUPAC Name6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CCN[C@H](c3ccccc3Br)C2)n1
InChIInChI=1S/C17H22BrN5/c1-11(2)17-21-15(19)9-16(22-17)23-8-7-20-14(10-23)12-5-3-4-6-13(12)18/h3-6,9,11,14,20H,7-8,10H2,1-2H3,(H2,19,21,22)/t14-/m0/s1
InChIKeyDTIYTNCMSALOMU-AWEZNQCLSA-N
XLogP3.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine (CID 171446272) is 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(N2CCN[C@H](c3ccccc3Br)C2)n1.
What is the InChIKey of 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DTIYTNCMSALOMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22BrN5/c1-11(2)17-21-15(19)9-16(22-17)23-8-7-20-14(10-23)12-5-3-4-6-13(12)18/h3-6,9,11,14,20H,7-8,10H2,1-2H3,(H2,19,21,22)/t14-/m0/s1.
What are the key properties of 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine?
6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 376.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 171446272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).